Structures by: Prohens R.

Total: 65

Pterostilbene

C16H16O3

Prohens, RafelBarbas, RafaelBofill, Lidiade Sande, DafneFrontera, Antonio

CrystEngComm (2020)

a=17.282(10)Å   b=7.629(4)Å   c=41.71(2)Å

α=90°   β=98.812(17)°   γ=90°

4(C29H50O),C7H8O,H2O

4(C29H50O),C7H8O,H2O

Prohens, RafelBarbas, RafaelBofill, Lidiade Sande, DafneFont-Bardia, Merce

CrystEngComm (2020)

a=7.597(3)Å   b=9.730(4)Å   c=37.763(14)Å

α=84.846(9)°   β=86.089(8)°   γ=88.219(9)°

Sitosterol Gallic acid cocrystal

4(C29H50O),C7H6O5

Prohens, RafelBarbas, RafaelBofill, Lidiade Sande, DafneFont-Bardia, Merce

CrystEngComm (2020)

a=10.7439(5)Å   b=13.6989(6)Å   c=38.1228(19)Å

α=90°   β=93.002(2)°   γ=90°

2(C29H50O),C6H7O5,H2O

2(C29H50O),C6H7O5,H2O

Prohens, RafelBarbas, RafaelBofill, Lidiade Sande, DafneFont-Bardia, Merce

CrystEngComm (2020)

a=77.42(2)Å   b=7.6086(18)Å   c=9.924(3)Å

α=90°   β=90.948(7)°   γ=90°

4(C29H50O),C3H6O2,C2H3N

4(C29H50O),C3H6O2,C2H3N

Prohens, RafelBarbas, RafaelBofill, Lidiade Sande, DafneFont-Bardia, Merce

CrystEngComm (2020)

a=7.581(2)Å   b=9.702(3)Å   c=36.973(9)Å

α=82.962(5)°   β=86.112(5)°   γ=89.740(5)°

Sitosterol Propionic acid hydrate cocrystal form II

4(C29H50O),C3H6O2,H2O

Prohens, RafelBarbas, RafaelBofill, Lidiade Sande, DafneFont-Bardia, Merce

CrystEngComm (2020)

a=26.373(3)Å   b=7.4971(7)Å   c=27.183(3)Å

α=90°   β=92.569(6)°   γ=90°

Fentanyl citrate hydrate

8(C22H29N2O),8(C6H7O7),9(H2O)

Barbas, RafaelProhens, RafelBauzá, AntonioFranconetti, AntonioFrontera, Antonio

Chemical communications (Cambridge, England) (2019) 55, 1 115-118

a=34.603(2)Å   b=9.5694(6)Å   c=20.2633(12)Å

α=90°   β=120.599(2)°   γ=90°

Fentanyl citrate toluene solvate

C22H29N2O,C6H7O7,C7H8

Barbas, RafaelProhens, RafelBauzá, AntonioFranconetti, AntonioFrontera, Antonio

Chemical communications (Cambridge, England) (2019) 55, 1 115-118

a=17.9040(12)Å   b=9.6858(6)Å   c=19.3593(13)Å

α=90°   β=108.125(3)°   γ=90°

Fentanyl citrate

C22H29N2O,C6H7O7

Barbas, RafaelProhens, RafelBauzá, AntonioFranconetti, AntonioFrontera, Antonio

Chemical communications (Cambridge, England) (2019) 55, 1 115-118

a=8.9630(5)Å   b=11.2533(7)Å   c=14.8740(9)Å

α=109.411(2)°   β=96.728(2)°   γ=107.486(2)°

3,4-Bis(2-dimethylamino-ethylamino)-cyclobut-3-ene-1,2-dione fumaric acid cocrystal

C33H62N8O16

Prohens, RafelPortell, AnnaFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

Chemical communications (Cambridge, England) (2018) 54, 15 1841-1844

a=6.196(8)Å   b=13.132(11)Å   c=13.815(13)Å

α=73.83(5)°   β=83.92(6)°   γ=78.69(6)°

Sildenafil chloroform solvate

C22H30N6O4S,CHCl3

Barbas, RafaelProhens, RafelFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 32 4526

a=16.3399(7)Å   b=8.5767(3)Å   c=40.1148(16)Å

α=90°   β=90°   γ=90°

Sildenafil anisole solvate

2(C22H30N6O4S),C7H8O

Barbas, RafaelProhens, RafelFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 32 4526

a=14.8822(7)Å   b=14.2697(7)Å   c=12.8142(6)Å

α=90°   β=106.409(2)°   γ=90°

Sildenafil dioxane solvate

C22H30N6O4S,0.5(C4H8O2)

Barbas, RafaelProhens, RafelFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 32 4526

a=15.6055(5)Å   b=13.5523(4)Å   c=12.5064(4)Å

α=90°   β=106.3620(10)°   γ=90°

5-[2-ethoxy-5-(4-methylpiperazin-1-yl) sulfonyl-phenyl]-1-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

2(C22H30N6O4S),C7H8

Barbas, RafaelProhens, RafelFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 32 4526

a=14.8287(6)Å   b=14.3781(6)Å   c=12.7277(5)Å

α=90°   β=106.4830(10)°   γ=90°

C18H16N2O2

C18H16N2O2

Portell, AnnaBarbas, RafaelBraga, DarioPolito, MarcoPuigjaner, CristinaProhens, Rafel

CrystEngComm (2009) 11, 1 52

a=11.403(2)Å   b=4.4101(10)Å   c=30.270(6)Å

α=90.00°   β=100.807(5)°   γ=90.00°

C21H20ClN4OS

C21H20ClN4OS

Portell, AnnaBarbas, RafaelFont-Bardia, MercèDalmases, PereProhens, RafelPuigjaner, Cristina

CrystEngComm (2009) 11, 5 791

a=7.377(8)Å   b=8.038(3)Å   c=33.627(6)Å

α=90.00°   β=95.60(4)°   γ=90.00°

C18H16N2O2

C18H16N2O2

Portell, AnnaBarbas, RafaelBraga, DarioPolito, MarcoPuigjaner, CristinaProhens, Rafel

CrystEngComm (2009) 11, 1 52

a=30.4956(18)Å   b=6.0254(3)Å   c=8.1984(5)Å

α=90.00°   β=96.760(6)°   γ=90.00°

C6H8N2O2

C6H8N2O2

Prohens, RafelPortell, AnnaPuigjaner, CristinaBarbas, RafaelAlcobé, XavierFont-Bardia, MercèTomàs, Salvador

CrystEngComm (2012) 14, 18 5745

a=6.087(4)Å   b=7.307(3)Å   c=16.041(8)Å

α=90.00°   β=109.98(3)°   γ=90.00°

C8H10N2O2

C8H10N2O2

Prohens, RafelPortell, AnnaPuigjaner, CristinaBarbas, RafaelAlcobé, XavierFont-Bardia, MercèTomàs, Salvador

CrystEngComm (2012) 14, 18 5745

a=4.995(4)Å   b=11.203(7)Å   c=14.389(8)Å

α=90.00°   β=94.44(4)°   γ=90.00°

C12H10N2O2

C12H10N2O2

Prohens, RafelPortell, AnnaPuigjaner, CristinaBarbas, RafaelAlcobé, XavierFont-Bardia, MercèTomàs, Salvador

CrystEngComm (2012) 14, 18 5745

a=18.938(19)Å   b=11.841(11)Å   c=4.309(6)Å

α=90.00°   β=90.00°   γ=90.00°

C7H9NO3

C7H9NO3

Prohens, RafelPortell, AnnaPuigjaner, CristinaBarbas, RafaelAlcobé, XavierFont-Bardia, MercèTomàs, Salvador

CrystEngComm (2012) 14, 18 5745

a=7.619(14)Å   b=7.888(11)Å   c=8.147(9)Å

α=65.33(9)°   β=66.81(8)°   γ=72.58(10)°

3(C15H12N2O),H2O

3(C15H12N2O),H2O

Prohens, RafelFont-Bardia, MercèBarbas, Rafael

CrystEngComm (2013) 15, 5 845

a=35.272(10)Å   b=35.272(10)Å   c=5.2820(10)Å

α=90.00°   β=90.00°   γ=120.00°

C14H20N2O3

C14H20N2O3

Puigjaner, CristinaBarbas, RafaelPortell, AnnaValverde, IsmaelVila, XavierAlcobé, XavierFont-Bardia, MercèProhens, Rafel

CrystEngComm (2012) 14, 2 362

a=10.963(7)Å   b=7.953(4)Å   c=16.433(6)Å

α=90.00°   β=97.92(3)°   γ=90.00°

C14H20N2O3

C14H20N2O3

Puigjaner, CristinaBarbas, RafaelPortell, AnnaValverde, IsmaelVila, XavierAlcobé, XavierFont-Bardia, MercèProhens, Rafel

CrystEngComm (2012) 14, 2 362

a=15.027(11)Å   b=5.096(3)Å   c=18.258(7)Å

α=90.00°   β=104.15(3)°   γ=90.00°

2(C14H20N2O3),H3N

2(C14H20N2O3),H3N

Puigjaner, CristinaBarbas, RafaelPortell, AnnaValverde, IsmaelVila, XavierAlcobé, XavierFont-Bardia, MercèProhens, Rafel

CrystEngComm (2012) 14, 2 362

a=71.963(14)Å   b=4.995(2)Å   c=8.096(11)Å

α=90.00°   β=92.19(8)°   γ=90.00°

Suberoylanilide hydroxamic acid

C14H20N2O3

Puigjaner, CristinaBarbas, RafaelPortell, AnnaValverde, IsmaelVila, XavierAlcobé, XavierFont-Bardia, MercèProhens, Rafel

CrystEngComm (2012) 14, 2 362

a=19.3146(4)Å   b=8.46572(7)Å   c=8.94208(10)Å

α=90.00000°   β=94.5220(12)°   γ=90.00000°

C12 H22 N4 O2, C6 H6 O2

C12H22N4O2,C6H6O2

Prohens, RafelPortell, AnnaVallcorba, OriolFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 2 237

a=25.43120(12)Å   b=25.43120(12)Å   c=6.06772(3)Å

α=90.00000°   β=90.00000°   γ=90.00000°

Bis([1,2,3]triazolo)[1,5-a:5',1'-k][1,10]phenanthroline

C12H22N4O2

Prohens, RafelPortell, AnnaVallcorba, OriolFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 2 237

a=29.6240(17)Å   b=6.0611(2)Å   c=8.6488(3)Å

α=90.0000°   β=101.974(4)°   γ=90.0000°

C12H22N4O2

C12H22N4O2

Prohens, RafelPortell, AnnaVallcorba, OriolFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 2 237

a=16.185(14)Å   b=29.012(18)Å   c=6.093(4)Å

α=90.00°   β=90.00°   γ=90.00°

N,N?-bis(2-(dimethylamino)ethyl)squaramide

C12H22N4O2

Prohens, RafelPortell, AnnaVallcorba, OriolFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

CrystEngComm (2018) 20, 2 237

a=6.0552(3)Å   b=14.4565(8)Å   c=15.8765(9)Å

α=90°   β=97.773(2)°   γ=90°

2(C29H50O),C3H6O2,H2O

2(C29H50O),C3H6O2,H2O

Prohens, RafelBarbas, RafaelBofill, Lidiade Sande, DafneFont-Bardia, Merce

CrystEngComm (2020)

a=9.439(2)Å   b=7.5391(16)Å   c=39.635(8)Å

α=90°   β=95.216(6)°   γ=90°

C20H20N2O4,C2H6O

C20H20N2O4,C2H6O

Prohens, RafelFrontera, AntonioPortell, AnnaFont-Bardia, MerceBauza, Antonio

CrystEngComm (2017)

a=46.922(5)Å   b=6.086(4)Å   c=7.467(8)Å

α=90°   β=92.72(6)°   γ=90°

C20H20N2O4,4/5(C2H6OS),2/5(H2O)

C20H20N2O4,4/5(C2H6OS),2/5(H2O)

Prohens, RafelFrontera, AntonioPortell, AnnaFont-Bardia, MerceBauza, Antonio

CrystEngComm (2017)

a=23.485(10)Å   b=9.632(4)Å   c=47.030(19)Å

α=90°   β=96.764(10)°   γ=90°

C12H10NO3

C12H10NO3

Prohens, RafelFrontera, AntonioPortell, AnnaFont-Bardia, MerceBauza, Antonio

CrystEngComm (2017)

a=7.1055(13)Å   b=10.956(2)Å   c=14.797(3)Å

α=90°   β=118.699(7)°   γ=90°

C13H14N2O3

C13H14N2O3

Prohens, RafelFrontera, AntonioPortell, AnnaFont-Bardia, MerceBauza, Antonio

CrystEngComm (2017)

a=7.435(5)Å   b=14.028(7)Å   c=12.008(6)Å

α=90.00°   β=92.07(3)°   γ=90.00°

C24H22N2O4

C24H22N2O4

Grecu, TudorAdams, HarryHunter, Christopher A.McCabe, James F.Portell, AnnaProhens, Rafel

Crystal Growth & Design (2014) 14, 4 1749

a=19.3678(2)Å   b=13.85573(10)Å   c=7.72653(5)Å

α=90.00000°   β=95.0300(7)°   γ=90.00000°

C22H24N2O8

C22H24N2O8

Grecu, TudorAdams, HarryHunter, Christopher A.McCabe, James F.Portell, AnnaProhens, Rafel

Crystal Growth & Design (2014) 14, 4 1749

a=7.3792(8)Å   b=9.4077(10)Å   c=14.9887(16)Å

α=79.440(4)°   β=81.526(4)°   γ=88.573(4)°

C22H26N2O5

C22H26N2O5

Grecu, TudorAdams, HarryHunter, Christopher A.McCabe, James F.Portell, AnnaProhens, Rafel

Crystal Growth & Design (2014) 14, 4 1749

a=6.9991(14)Å   b=12.106(2)Å   c=13.199(3)Å

α=96.07(3)°   β=103.76(3)°   γ=106.11(3)°

?

C12H12N2O3,2(C8H7N)

Grecu, TudorAdams, HarryHunter, Christopher A.McCabe, James F.Portell, AnnaProhens, Rafel

Crystal Growth & Design (2014) 14, 4 1749

a=13.2492(2)Å   b=10.82380(14)Å   c=8.37998(10)Å

α=96.0718(8)°   β=93.5031(11)°   γ=91.5041(10)°

C20H32N5O8P,CH4O

C20H32N5O8P,CH4O

Prohens, RafelBarbas, RafaelPortell, AnnaFont-Bardia, MercèAlcobé, XavierPuigjaner, Cristina

Crystal Growth & Design (2015) 15, 1 475

a=10.568(6)Å   b=12.031(5)Å   c=13.327(5)Å

α=116.71(2)°   β=105.63(3)°   γ=96.82(3)°

C20H32N5O8P,0.5(C2H6O2)

C20H32N5O8P,0.5(C2H6O2)

Prohens, RafelBarbas, RafaelPortell, AnnaFont-Bardia, MercèAlcobé, XavierPuigjaner, Cristina

Crystal Growth & Design (2015) 15, 1 475

a=10.555(7)Å   b=12.005(7)Å   c=13.366(6)Å

α=108.71(3)°   β=113.68(3)°   γ=98.42(4)°

?

C20H32N5O8P

Prohens, RafelBarbas, RafaelPortell, AnnaFont-Bardia, MercèAlcobé, XavierPuigjaner, Cristina

Crystal Growth & Design (2015) 15, 1 475

a=13.12870(10)Å   b=24.6784(3)Å   c=8.34752(8)Å

α=90.00000°   β=100.6575(5)°   γ=90.00000°

C11H8NO3,C7H10N,0.5(H2O)

C11H8NO3,C7H10N,0.5(H2O)

Prohens, RafelPortell, AnnaFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

Crystal Growth & Design (2014) 14, 5 2578

a=23.15(2)Å   b=10.354(10)Å   c=29.282(10)Å

α=90°   β=90°   γ=90°

2(C4HO4),2(C7H10N),H2O

2(C4HO4),2(C7H10N),H2O

Prohens, RafelPortell, AnnaFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

Crystal Growth & Design (2014) 14, 5 2578

a=23.793(11)Å   b=9.123(2)Å   c=10.925(4)Å

α=90°   β=102.60(2)°   γ=90°

C8H10NO3,C4H12N

C8H10NO3,C4H12N

Prohens, RafelPortell, AnnaFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

Crystal Growth & Design (2014) 14, 5 2578

a=7.041(4)Å   b=12.717(5)Å   c=16.156(7)Å

α=90°   β=104.25(3)°   γ=90°

C12H13NO5

C12H13NO5

Prohens, RafelPortell, AnnaFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

Crystal Growth & Design (2014) 14, 5 2578

a=6.019(4)Å   b=7.217(3)Å   c=26.878(13)Å

α=90°   β=90°   γ=90°

C12H24N4O2,C4O4,H2O

C12H24N4O2,C4O4,H2O

Prohens, RafelPortell, AnnaFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

Crystal Growth & Design (2014) 14, 5 2578

a=10.737(6)Å   b=11.931(5)Å   c=16.323(7)Å

α=90°   β=119.13(3)°   γ=90°

C10H28N4,2(C4O4),3(H2O)

C10H28N4,2(C4O4),3(H2O)

Prohens, RafelPortell, AnnaFont-Bardia, MercèBauzá, AntonioFrontera, Antonio

Crystal Growth & Design (2014) 14, 5 2578

a=18.512(11)Å   b=7.339(3)Å   c=16.768(8)Å

α=90°   β=102.90°   γ=90°

C31H33N3O6S

C31H33N3O6S

Llinas, AntonioBarbas, RafaelFont-Bardia, MercèQuayle, Michael J.Velaga, SitaramProhens, Rafel

Crystal Growth & Design (2015) 15, 8 4162

a=9.578(9)Å   b=14.436(10)Å   c=22.027(15)Å

α=90°   β=102.557(14)°   γ=90°

C31H33N3O6S,C2H3N

C31H33N3O6S,C2H3N

Llinas, AntonioBarbas, RafaelFont-Bardia, MercèQuayle, Michael J.Velaga, SitaramProhens, Rafel

Crystal Growth & Design (2015) 15, 8 4162

a=11.7003(6)Å   b=12.3800(6)Å   c=12.8510(6)Å

α=117.078(2)°   β=98.813(3)°   γ=97.312(3)°

C31H33N3O6S,0.5(C4H10N2)

C31H33N3O6S,0.5(C4H10N2)

Llinas, AntonioBarbas, RafaelFont-Bardia, MercèQuayle, Michael J.Velaga, SitaramProhens, Rafel

Crystal Growth & Design (2015) 15, 8 4162

a=7.6482(14)Å   b=13.398(3)Å   c=16.798(3)Å

α=78.765(8)°   β=86.517(8)°   γ=75.060(9)°

C31H33N3O6S,C4H10O

C31H33N3O6S,C4H10O

Llinas, AntonioBarbas, RafaelFont-Bardia, MercèQuayle, Michael J.Velaga, SitaramProhens, Rafel

Crystal Growth & Design (2015) 15, 8 4162

a=10.333(4)Å   b=36.097(13)Å   c=9.961(3)Å

α=90°   β=112.768(12)°   γ=90°

?

C22H32N4O6,2(C6H6O2)

Prohens, RafelPortell, AnnaAlcob Xavier

Crystal Growth & Design (2012) 12, 9 4548

a=11.41571(9)Å   b=10.98858(10)Å   c=8.19298(5)Å

α=86.5493(4)°   β=99.3077(4)°   γ=122.3577(4)°

?

C22H32N4O6,2(C6H6O2),2(H2O)

Prohens, RafelPortell, AnnaAlcob Xavier

Crystal Growth & Design (2012) 12, 9 4548

a=7.04800(6)Å   b=9.32696(15)Å   c=14.50037(19)Å

α=76.7937(9)°   β=81.7078(7)°   γ=77.4380(6)°

?

C22H32N4O6

Prohens, RafelPortell, AnnaAlcob Xavier

Crystal Growth & Design (2012) 12, 9 4548

a=16.37064(12)Å   b=10.00640(6)Å   c=7.27971(3)Å

α=90.00000°   β=98.8213(5)°   γ=90.00000°

?

C22H32N4O6

Prohens, RafelPortell, AnnaAlcob Xavier

Crystal Growth & Design (2012) 12, 9 4548

a=12.9142(5)Å   b=13.4373(2)Å   c=6.82870(13)Å

α=90.00000°   β=96.9271(17)°   γ=90.00000°

C16H21N3O3

C16H21N3O3

Portell, AnnaProhens, Rafel

Crystal Growth & Design (2014) 14, 2 397

a=10.2164(8)Å   b=6.07487(12)Å   c=25.9781(17)Å

α=90°   β=102.821(16)°   γ=90°

C8H12N2O3

C8H12N2O3

Portell, AnnaFont-Bardia, MercèProhens, Rafel

Crystal Growth & Design (2013) 13, 10 4200

a=6.249(4)Å   b=12.774(6)Å   c=11.848(5)Å

α=90°   β=111.29(3)°   γ=90°

C8H12N2O3

C8H12N2O3

Portell, AnnaFont-Bardia, MercèProhens, Rafel

Crystal Growth & Design (2013) 13, 10 4200

a=9.356(6)Å   b=9.541(5)Å   c=11.672(6)Å

α=90.00°   β=121.72(4)°   γ=90.00°

C8H12N2O3,H2O

C8H12N2O3,H2O

Portell, AnnaFont-Bardia, MercèProhens, Rafel

Crystal Growth & Design (2013) 13, 10 4200

a=6.536(6)Å   b=10.844(9)Å   c=14.095(11)Å

α=90.00°   β=103.17(5)°   γ=90.00°

C12H14N2O7

C12H14N2O7

Portell, AnnaFont-Bardia, MercèProhens, Rafel

Crystal Growth & Design (2013) 13, 10 4200

a=7.470(3)Å   b=16.818(4)Å   c=11.912(5)Å

α=90°   β=121.09(3)°   γ=90°

C16H14N4O2

C16H14N4O2

Prohens, RafelPortell, AnnaPuigjaner, CristinaTomàs, SalvadorFujii, KotaroHarris, Kenneth D. M.Alcobé, XavierFont-Bardia, MercèBarbas, Rafael

Crystal Growth & Design (2011) 11, 9 3725

a=4.358(5)Å   b=29.45(3)Å   c=6.076(5)Å

α=90.00°   β=110.62(8)°   γ=90.00°

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C8H7N2O

Prohens, RafelPortell, AnnaPuigjaner, CristinaTomàs, SalvadorFujii, KotaroHarris, Kenneth D. M.Alcobé, XavierFont-Bardia, MercèBarbas, Rafael

Crystal Growth & Design (2011) 11, 9 3725

a=6.03426(25)Å   b=10.9211(5)Å   c=11.9179(6)Å

α=93.0202(26)°   β=103.1757(26)°   γ=92.4776(34)°

C7H12N2,C4HO4,0.5(C4O4),2(H2O)

C7H12N2,C4HO4,0.5(C4O4),2(H2O)

Prohens, RafelFrontera, AntonioPortell, AnnaFont-Bardia, MerceBauza, Antonio

CrystEngComm (2017)

a=4.7188(6)Å   b=15.4660(14)Å   c=20.0360(18)Å

α=90°   β=99.372(4)°   γ=90°

2(C20H32N5O8P),C4H8O

2(C20H32N5O8P),C4H8O

Prohens, RafelBarbas, RafaelPortell, AnnaFont-Bardia, MercèAlcobé, XavierPuigjaner, Cristina

Crystal Growth & Design (2015) 15, 1 475

a=10.3496(5)Å   b=12.0188(6)Å   c=12.9829(6)Å

α=115.175(2)°   β=105.644(2)°   γ=98.228(2)°