Structures published

Total: 58

(S)-7-methylnonacosane

C₃₀H₆₂

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=28.172(5)Å b=4.935(1)Å c=10.375(2)Å

α=90° β=90.30(1)° γ=90°

(S)-13-methylnonacosane

C₃₀H₆₂

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=18.43381(43)Å b=7.175975(86)Å c=11.02071(26)Å

α=90° β=101.9743(28)° γ=90°

(S)-11-methylheptacosane

C₂₈H₅₈

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=16.00237(29)Å b=7.154313(81)Å c=12.40169(26)Å

α=90° β=109.8248(15)° γ=90°

(S)-9-methylheptacosane

C₂₈H₅₈

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=23.4884(13)Å b=4.93921(10)Å c=12.33521(59)Å

α=90° β=109.2946(24)° γ=90°

(S)-9-methylnonacosane

C₃₀H₆₂

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=25.6203(18)Å b=4.93638(18)Å c=12.32668(91)Å

α=90° β=112.4482(40)° γ=90°

(S)-7-methylnonacosane

C₃₀H₆₂

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=28.09291(37)Å b=4.932501(29)Å c=10.36893(12)Å

α=90° β=90.40592(59)° γ=90°

Si O2

O₂Si

Zanardi, S.Fornes, V.Alberti, A.Brunelli, M.Corma, A.Cruciani, G.

Angew. Chem. Int. ed. (2004) 43, 4933-4937

a=17.2569Å b=4.9881Å c=13.8482Å

α=90° β=106.091° γ=90°

(C10 H8 N2)4 (Si12 O26)2

C₄₀H₃₂N₈O₅₂Si₂₄

Zanardi, S.Brunelli, M.Alberti, A.Fornes, V.Cruciani, G.Corma, A.

Angew. Chem. Int. ed. (2004) 43, 4933-4937

a=27.7287Å b=4.97311Å c=13.93504Å

α=90° β=103.7325° γ=90°

Ba Zr (P O4)2

BaO₈P₂Zr

Bregiroux, D.Caciuffo, R.Popa, K.Raison, P.E.Jardin, R.Brunelli, M.Wallez, G.Quarton, M.Ferrero, C.

Journal of Solid State Chemistry (2009) 182, 1115-1120

a=5.2145Å b=5.2145Å c=7.8165Å

α=90° β=90° γ=120°

2(C₄₉H₃₃O₂₈S₇)₈₃Ba₂₁₃(H₂O)_,5(C₁₂H₁₂N₂)_2,18(H₂O)

Erra, Loredana Tedesco, Consiglia Vaughan, Gavin Brunelli, Michela Troisi, Francesco Gaeta, Carmine Neri, Placido

CrystEngComm (2010) 12, 11 3463

a=35.610(5)Å b=17.813(2)Å c=32.235(4)Å

α=90.00° β=112.749(9)° γ=90.00°

(S)-11-methylnonacosane

C₃₀H₆₂

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=16.01290(24)Å b=7.144580(71)Å c=14.09635(26)Å

α=90° β=118.05989(96)° γ=90°

(S)-9-methylpentacosane

C₂₆H₅₄

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=21.44393(75)Å b=4.937406(76)Å c=12.34557(40)Å

α=90° β=105.6247(15)° γ=90°

(S)-9-methyltriacontane

C₃₂H₆₆

Brooks, Lee Brunelli, Michela Pattison, Philip Jones, Graeme R.Fitch, Andrew

IUCrJ (2015) 2, 5 490-497

a=27.78145(44)Å b=4.933812(40)Å c=12.38987(21)Å

α=90° β=115.67967(77)° γ=90°

(S)-4-decyloxycarbonyl-2-azetidinone

C₁₄H₂₅NO₃

Seijas, Luis E.Mora, Asiloé J.Delgado, Gerzon E.López-Carrasquero, Francisco Báez, María E.Brunelli, Michela Fitch, Andrew N.

Acta Crystallographica Section B (2009) 65, 6 724-730

a=27.82406(16)Å b=5.35267(4)Å c=5.16992(3)Å

α=90° β=92.0469(4)° γ=90°

(S)-4-dodecyloxycarbonyl-2-azetidinone

C₁₆H₂₉NO₃

Seijas, Luis E.Mora, Asiloé J.Delgado, Gerzon E.López-Carrasquero, Francisco Báez, María E.Brunelli, Michela Fitch, Andrew N.

Acta Crystallographica Section B (2009) 65, 6 724-730

a=31.08412(33)Å b=5.35782(4)Å c=5.21197(5)Å

α=90.0° β=94.1094(7)° γ=90.0°

(S)-4-hexadecyloxycarbonyl-2-azetidinone

C₂₀H₃₇NO₃

Seijas, Luis E.Mora, Asiloé J.Delgado, Gerzon E.López-Carrasquero, Francisco Báez, María E.Brunelli, Michela Fitch, Andrew N.

Acta Crystallographica Section B (2009) 65, 6 724-730

a=37.15863(33)Å b=5.35911(5)Å c=5.30974(5)Å

α=90.0° β=92.1693(6)° γ=90.0°

Lithium benzilate hemihydrate

C₁₄H₁₂LiO_3.5

Mora, Asiloé J.Fitch, Andrew N.Ramirez, Belkis M.Delgado, Gerzon E.Brunelli, Michela Wright, Jonathan

Acta Crystallographica Section B (2003) 59, 3 378-383

a=34.1916(2)Å b=5.53460(10)Å c=14.02890(10)Å

α=90° β=113.9980(10)° γ=90°

?

C₄H₇NO₂

Asiloé J. Mora Michella Brunelli Andrew N. Fitch Jonathan Wright Maria E. Báez Francisco López-Carrasquero

Acta Crystallographica Section B (2006) 62, 4 606-611

a=6.27983(3)Å b=7.83799(4)Å c=5.46295(3)Å

α=90.0° β=114.8925(4)° γ=90.0°

(S)-4-(-)-oxo-2-azetidinonecarboxilyc acid

C₄H₅NO₃

Asiloé J. Mora Michella Brunelli Andrew N. Fitch Jonathan Wright Maria E. Báez Francisco López-Carrasquero

Acta Crystallographica Section B (2006) 62, 4 606-611

a=8.94684(2)Å b=7.66956(2)Å c=7.27555(2)Å

α=90.0° β=90.0° γ=90.0°

4-piperidinic acid

C₆H₁₁N₁O₂

Asiloé J. Mora Edward E. Ávila Gerzon E. Delgado Andrew N. Fitch Michella Brunelli

Acta Crystallographica Section B (2005) 61, 1 96-102

a=10.8548(2)Å b=9.75200(10)Å c=6.11520(10)Å

α=90° β=90° γ=90°

4-piperinic acid

C₆H₁₁NO₂

Asiloé J. Mora Edward E. Ávila Gerzon E. Delgado Andrew N. Fitch Michella Brunelli

Acta Crystallographica Section B (2005) 61, 1 96-102

a=11.7537(5)Å b=10.1013(5)Å c=5.5787(2)Å

α=90° β=90° γ=90°

2-spiro(cycloheptane)-4-thiono-[5,6,7,8]-tetrahydro-(1H,4H)-3,1-cyclo- heptatiazine

C₁₅H₂₃NS₂

Avila, Edward E.Mora, Asiloé J.Delgado, Gerzon E.Contreras, Ricardo R.Fitch, Andrew N.Brunelli, Michela

Acta Crystallographica Section B (2008) 64, 2 217-222

a=13.11563(4)Å b=21.32201(6)Å c=11.75591(3)Å

α=90.0° β=113.98990(10)° γ=90.0°

Pigment Yellow 213, alpha-phase

C₂₃H₂₁N₅O₉

Schmidt, Martin U.Brühne, Stefan Wolf, Alexandra K.Rech, Anette Brüning, Jürgen Alig, Edith Fink, Lothar Buchsbaum, Christian Glinnemann, Jürgen van de Streek, Jacco Gozzo, Fabia Brunelli, Michela Stowasser, Frank Gorelik, Tatiana Mugnaioli, Enrico Kolb, Ute

Acta Crystallographica Section B (2009) 65, 2 189-199

a=6.9006(3)Å b=11.8347(6)Å c=14.0592(7)Å

α=81.811(4)° β=81.032(9)° γ=87.541(10)°

Ethyl 1',2',3',4',4a',5',6',7'-octahydrodispiro[cyclohexane-1,2'- quinazoline-4',1''-cyclohexane]-8'-carbodithioate

C₂₁H₃₄N₂S₂

Ávila, Edward E.Mora, Asiloé J.Delgado, Gerzon E.Contreras, Ricardo R.Rincón, Luis Fitch, Andrew N.Brunelli, Michela

Acta Crystallographica Section B (2009) 65, 5 639-646

a=21.7356(4)Å b=10.0565(2)Å c=9.45108(18)Å

α=90.0° β=99.9602(8)° γ=90.0°

C₄₀H₄₈O₈

Brunelli, Michela Neumann, Marcus A.Fitch, Andrew N.Mora, Asiloé J.

Journal of Applied Crystallography (2007) 40, 4 702-709

a=6.8558(1)Å b=6.8558(1)Å c=16.9375(1)Å

α=90.000° β=90.000° γ=90.000°

Dipotassium heptafluorotantalate(V)

F₇Ta_,2(K)

Smrčok, Lubomír Brunelli, Michela Boča, Miroslav Kucharík, Marian

Journal of Applied Crystallography (2008) 41, 3 634-636

a=10.0731(7)Å b=5.9456(4)Å c=12.1527(9)Å

α=90.00000° β=90.00000° γ=90.00000°

Trans-Decalin

C₁₀H₁₈

Eibl, Stefan Fitch, Andrew Brunelli, Michela Evans, Alexander Dominic Pattison, Philip Plazanet, Marie Johnson, Mark Robert Alba-Simionesco, Christiane Schober, Helmut

Acta Crystallographica Section C (2009) 65, 6 o278-o280

a=7.8101(5)Å b=10.4690(12)Å c=5.2638(3)Å

α=90.0° β=90.990(7)° γ=90.0°

(La0.425 Pr0.2 Ca0.375) (Mn O3)

Ca_0.375La_0.425MnO₃Pr_0.2

Collado, J.A.Frontera, C.Garcia-Munoz, J.L.Ritter, C.Aranda, M.A.G.Brunelli, M.

Chemistry of Materials (1,1989-) (2003) 15, 167-174

a=5.44301Å b=7.68546Å c=5.449Å

α=90° β=90° γ=90°

(La0.275 Pr0.35 Ca0.375) (Mn O3)

Ca_0.375La_0.275MnO₃Pr_0.35

Collado, J.A.Garcia-Munoz, J.L.Frontera, C.Ritter, C.Aranda, M.A.G.Brunelli, M.

Chemistry of Materials (1,1989-) (2003) 15, 167-174

a=5.44105Å b=7.67594Å c=5.43977Å

α=90° β=90° γ=90°

(Pr0.625 Ca0.375) (Mn O3)

Ca_0.375MnO₃Pr_0.625

Collado, J.A.Frontera, C.Garcia-Munoz, J.L.Ritter, C.Brunelli, M.Aranda, M.A.G.

Chemistry of Materials (1,1989-) (2003) 15, 167-174

a=5.44282Å b=7.65475Å c=5.4209Å

α=90° β=90° γ=90°

Chevrel phase

Cu_2.97Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.405(2)Å b=9.405(2)Å c=10.410(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_3.37Mg_0.25Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.470(2)Å b=9.470(2)Å c=10.377(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_2.86Mg_1.31Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.516(2)Å b=9.516(2)Å c=10.460(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_3.02Mg_2.27Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.594(2)Å b=9.594(2)Å c=10.435(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_2.56Mg_0.77Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.462(2)Å b=9.462(2)Å c=10.434(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_1.60Mg_2.09Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.534(2)Å b=9.534(2)Å c=10.431(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_1.21Mg_5.40Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.705(2)Å b=9.705(2)Å c=10.405(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_3.06Mg_0.20Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.448(2)Å b=9.448(2)Å c=10.392(2)Å

α=90.00000° β=90.00000° γ=120.0000°

C₁₀H₉N_2,C₄HO₄

David M. S. Martins Derek S. Middlemiss Colin R. Pulham Chick C. Wilson Mark T. Weller Paul F. Henry Norman Shankland Kenneth Shankland William G. Marshall Richard M. Ibberson Kevin Knight Stephen Moggach Michela Brunelli Carole A. Morrison

Journal of the American Chemical Society (2009) 131, 3884-3893

a=3.7551(5)Å b=11.2066(13)Å c=27.322(3)Å

α=90° β=92.947(7)° γ=90°

C₁₀H₉N_2,C₄HO₄

Journal of the American Chemical Society (2009) 131, 3884-3893

a=3.79750(10)Å b=11.1996(3)Å c=27.4424(7)Å

α=90° β=92.236(2)° γ=90°

C₁₀H₉N_2,C₄HO₄

Journal of the American Chemical Society (2009) 131, 3884-3893

a=12.359(8)Å b=11.287(7)Å c=9.061(6)Å

α=90° β=109.139(10)° γ=90°

C₅₆H₄₀N₈O₁₆

Martins, David M. S.Middlemiss, Derek S.Pulham, Colin R.Wilson, Chick C.Weller, Mark T.Henry, Paul F.Shankland, Norman Shankland, Kenneth Marshall, William G.Ibberson, Richard M.Knight, Kevin Moggach, Stephen Brunelli, Michela Morrison, Carole A.

Journal of the American Chemical Society (2009) 131, 11 3884-3893

a=12.4300(27)Å b=11.2743(12)Å c=9.0678(22)Å

α=90.000° β=109.488(14)° γ=90.000°

Chevrel phase

MgMo₃Se₄

Elena Levi Ariel Mitelman Olivier Isnard Michela Brunelli Doron Aurbach

Inorganic Chemistry (2008) 47, 1975-1983

a=6.8781(3)Å b=6.8881(3)Å c=6.9299(3)Å

α=93.030(3)° β=96.230(3)° γ=94.375(4)°

Cis-4-carboxycyclohexanaminiumoxalate:oxalic acid

(C₇H₁₄NO₂)_,0.5(C₂H₂O₄)_,0.5(C₂O₄)

Mora, Asiloé J.Belandria, Lusbely M.Ávila, Edward E.Seijas, Luis E.Delgado, Gerzon E.Miró, Aira Almeida, Rafael Brunelli, Michela Fitch, Andrew N.

Crystal Growth & Design (2013) 13, 5 1849

a=6.286(3)Å b=8.879(4)Å c=9.839(4)Å

α=93.625(4)° β=98.813(4)° γ=95.604(4)°

Cis-4-aminocyclohexanecarboxylic acid

C₇H₁₃NO₂

Mora, Asiloé J.Belandria, Lusbely M.Ávila, Edward E.Seijas, Luis E.Delgado, Gerzon E.Miró, Aira Almeida, Rafael Brunelli, Michela Fitch, Andrew N.

Crystal Growth & Design (2013) 13, 5 1849

a=13.56160(23)Å b=6.24896(10)Å c=9.80579(18)Å

α=90.0° β=112.2003(11)° γ=90.0°

C₃₈H₄₄O_6,CHCl_3,H₂O₁

Tedesco, Consiglia Erra, Loredana Immediata, Ivano Gaeta, Carmine Brunelli, Michela Merlini, Marco Meneghini, Carlo Pattison, Philip Neri, Placido

Crystal Growth & Design (2010) 10, 4 1527

a=9.993(3)Å b=11.259(3)Å c=17.330(4)Å

α=85.03(2)° β=87.27(2)° γ=75.26(2)°

2(C₃₈O₆H₄₄)_,3(C₂N₁H₃)_,2(H₂O)

Tedesco, Consiglia Erra, Loredana Immediata, Ivano Gaeta, Carmine Brunelli, Michela Merlini, Marco Meneghini, Carlo Pattison, Philip Neri, Placido

Crystal Growth & Design (2010) 10, 4 1527

a=12.726(5)Å b=19.182(5)Å c=15.583(5)Å

α=90.00° β=91.643(2)° γ=90.00°

C₃₄H₄₈O₈

Brunelli, Michela Neumann, Marcus A.Fitch, Andrew N.Mora, Asiloé J.

Journal of Applied Crystallography (2007) 40, 4 702-709

a=7.3803Å b=10.3820Å c=9.7508Å

α=90.000° β=95.359° γ=90.000°

Chevrel phase

Cu_4.23Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.520(2)Å b=9.520(2)Å c=10.314(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_4.37Mg_0.22Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.548(2)Å b=9.548(2)Å c=10.375(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Chevrel phase

Cu_4.66Mg_3.31Mo₁₈S₂₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.

Chemistry of Materials (2007) 19, 21 5131

a=9.724(2)Å b=9.724(2)Å c=10.392(2)Å

α=90.00000° β=90.00000° γ=120.0000°

Magnesium imide

H₁Mg₁N₁

Francesco Dolci Emilio Napolitano Eveline Weidner Stefano Enzo Pietro Moretto Michela Brunelli Thomas Hansen Maximilian Fichtner Wiebke Lohstroh

Inorganic Chemistry (2011) 50, 1116-1122

a=11.57961(3)Å b=11.57961(3)Å c=3.6811(1)Å

α=90.0° β=90.0° γ=120°

Mg_0.75Mo₃Se₄

Levi, E.Mitelman, A.Aurbach, D.Brunelli, M.Isnard, O.

Inorganic Chemistry (2008) 47, 1975-1983

a=6.868Å b=6.921Å c=6.88Å

α=93° β=94.4° γ=96.22°

S-Camphor

C₁₀H₁₆O₁

M.Brunelli A.N.Fitch A.J.Mora

J.Solid State Chem. (2002) 163, 253

a=8.9277(2)Å b=27.0359(5)Å c=7.3814(1)Å

α=90° β=90° γ=90°

C₁₀H₁₆S

Brunelli, M.Fitch, A. N.Mora, A. J.

Materials Science Forum (2000) 321-324, 1092-1097

a=9.0500Å b=14.5910Å c=7.2940Å

α=90.000° β=90.000° γ=90.000°

C₇H₁₀

Brunelli, M.Fitch, A. N.Mora, A. J.

Materials Science Forum (2000) 321-324, 1092-1097

a=7.6070Å b=8.6210Å c=8.7490Å

α=90.000° β=97.219° γ=90.000°

C₉H₁₂O₂

Brunelli, M.Fitch, A. N.Mora, A. J.

Materials Science Forum (2000) 321-324, 1092-1097

a=7.3830Å b=10.3870Å c=9.7540Å

α=90.000° β=95.357° γ=90.000°

C₇H₁₀

Brunelli, M.Fitch, A. N.Jouanneaux, A.Mora, A. J.

Zeitschrift für Kristallographie (2001) 216, 1 51-55

a=7.6063Å b=8.6220Å c=8.7490Å

α=90.000° β=97.240° γ=90.000°