Structures by: Quesada A.
Total: 77
None
C20H24O4
Journal of natural products (2008) 71, 5 926-928
a=10.215(4)Å b=12.6695(12)Å c=13.163(2)Å
α=90° β=102.65(4)° γ=90°
10S*-O-methyl-furocaespitanelactol
C13H18BrClO3
Journal of natural products (2010) 73, 1 27-32
a=6.0017(5)Å b=11.9713(6)Å c=9.5760(8)Å
α=90° β=93.375(3)° γ=90°
(1R,3E,7S,8S,11S,12S)-7,8-epoxy-14-oxo-3,18-dolabelladiene
C20H30O2
Journal of natural products (2011) 74, 2 213-222
a=7.7877(11)Å b=13.9979(13)Å c=15.5830(16)Å
α=90° β=90° γ=90°
2-Amino-4,6-bis(piperidino)pyrimidine
C14H23N5
Acta Crystallographica Section B (2004) 60, 1 76-89
a=12.1473(4)Å b=9.8811(3)Å c=11.4068(3)Å
α=90.00° β=96.64900(10)° γ=90.00°
2-Amino-4,6-bis(3-pyridylmethoxy)pyrimidine
C16H15N5O2
Acta Crystallographica Section B (2004) 60, 1 76-89
a=11.3545(3)Å b=12.7528(4)Å c=16.9511(6)Å
α=70.0380(10)° β=73.2060(10)° γ=79.6260(10)°
2-Amino-4,6-bis(morpholino)-5-nitrosopirimidine
C12H18N6O3
Acta Crystallographica Section B (2004) 60, 1 76-89
a=13.0037(4)Å b=9.1130(3)Å c=12.4892(3)Å
α=90.00° β=112.3400(12)° γ=90.00°
2-Amino-4,6-bis(benzylamino)-5-nitrosopyrimidine
C18H18N6O
Acta Crystallographica Section B (2004) 60, 1 76-89
a=12.94160(10)Å b=6.6816(3)Å c=20.0033(5)Å
α=90.00° β=113.3020(12)° γ=90.00°
2-Amino-5-nitroso-4,6-bis(3-pyridylmethoxy)pyrimidine
C16H14N6O3
Acta Crystallographica Section B (2004) 60, 1 76-89
a=6.881(2)Å b=9.140(3)Å c=24.4636(10)Å
α=90.00° β=90.00° γ=90.00°
2-Amino-4,6-bis(2-hydroxyethylamino)-5-nitrosopyrimidine
C8H14N6O3
Acta Crystallographica Section B (2004) 60, 1 76-89
a=9.64870(10)Å b=14.8594(2)Å c=7.3497(2)Å
α=90.00° β=101.0970(10)° γ=90.00°
2-Amino-4-benzylamino-6-benzyloxy-5-nitrosopyrimidine
C18H17N5O2
Acta Crystallographica Section B (2002) 58, 2 300-315
a=11.677(2)Å b=13.362(3)Å c=21.478(4)Å
α=90.00° β=102.58(3)° γ=90.00°
Ethyl N-(2-amino-6-benzyloxypyrimidin-4-yl)gylcinate
C15H17N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=7.3525(4)Å b=7.5420(5)Å c=14.9454(13)Å
α=91.797(3)° β=100.467(3)° γ=106.102(6)°
Ethyl N-(2-amino-6 benzyloxy-5-nitrosopyrimidin-4-yl)-β-alaninate
C16H19N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=5.2399(16)Å b=31.1630(14)Å c=9.792(4)Å
α=90.00° β=100.200(12)° γ=90.00°
Ethyl N-(2-amino-6-benzyloxo-5-nitrosopyrimidin-4-yl)-β-alaninate
C16H19N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=7.4830(2)Å b=16.6110(6)Å c=13.5378(6)Å
α=90.00° β=91.5420(11)° γ=90.00°
Ethyl N-(2-amino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-L-phenylalaninate
C22H23N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=7.9899(3)Å b=8.4278(3)Å c=17.0042(7)Å
α=99.9100(12)° β=90.5610(13)° γ=111.4880(17)°
Ethyl N-(2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl)-β-alaninate
C23H25N5O4
Acta Crystallographica Section B (2002) 58, 2 300-315
a=8.6595(2)Å b=16.3567(4)Å c=16.9014(4)Å
α=105.2210(13)° β=104.6960(13)° γ=100.3720(12)°
4-Benzylamino-2, 6-bis(benzyloxy)-5-nitrosopyrimidine
C25H22N4O3
Acta Crystallographica Section B (2002) 58, 2 300-315
a=14.6856(5)Å b=7.7726(2)Å c=18.5721(8)Å
α=90.00° β=99.8847(13)° γ=90.00°
2-Benzylamino-4,6-bis(benzyloxy)-5-nitrosopyrimidine
C25H22N4O3
Acta Crystallographica Section B (2002) 58, 2 300-315
a=13.8074(3)Å b=15.8175(5)Å c=10.2119(5)Å
α=90.00° β=105.7490(11)° γ=90.00°
2-Amino-4,6-bis(benzyloxy)pyrimidine
C18H17N3O2
Acta Crystallographica Section B (2002) 58, 2 300-315
a=32.4902(9)Å b=7.5034(2)Å c=12.7804(4)Å
α=90.00° β=98.8790(16)° γ=90.00°
2-Amino-4,6-bis(pyrrolidino)-5-nitrosopyrimidine hydrate
C12H19.1N6O1.55
Acta Crystallographica Section B (2002) 58, 2 300-315
a=18.4687(8)Å b=8.1067(3)Å c=19.1880(6)Å
α=90.00° β=110.580(2)° γ=90.00°
2-Amino-6-benzyloxy-4-(N-methylamino)-5-nitrosopyrimidine
C12H13N5O2
Acta Crystallographica Section B (2003) 59, 2 263-276
a=7.1122(2)Å b=7.3873(2)Å c=23.3867(7)Å
α=90.00° β=90.00° γ=90.00°
2-Amino-6-benzyloxy-4-(N-butylamino)-5-nitrosopyrimidine
C15H19N5O2
Acta Crystallographica Section B (2003) 59, 2 263-276
a=7.6146(2)Å b=13.7686(4)Å c=16.1215(5)Å
α=90.00° β=116.6180(15)° γ=90.00°
2-Amino-6-benzyloxy-4-(N-phenylamino)-5-nitrosopyrimidine
C17H15N5O2
Acta Crystallographica Section B (2003) 59, 2 263-276
a=4.7622(3)Å b=5.8123(4)Å c=13.5635(11)Å
α=79.851(2)° β=87.346(2)° γ=89.692(5)°
2-Amino-6-benzyloxy-4-(N-dodecylamino)-5-nitrosopyrimidine
C23H35N5O2
Acta Crystallographica Section B (2003) 59, 2 263-276
a=7.3567(4)Å b=7.7784(4)Å c=21.4725(14)Å
α=92.000(2)° β=99.840(2)° γ=108.760(2)°
2-amino-6-benzyloxy-4-(N-cyclohexylamino)-5-nitrosopyrimidine
C17H21N5O2
Acta Crystallographica Section B (2003) 59, 2 263-276
a=8.2656(5)Å b=10.6077(6)Å c=10.6743(7)Å
α=64.841(4)° β=71.021(3)° γ=87.275(5)°
2-Amino-6-benzyloxy-4-piperidino-5-nitrosopyrimidine monohydrate
C16H19N5O2,H2O
Acta Crystallographica Section B (2003) 59, 2 263-276
a=7.2557(4)Å b=11.4692(7)Å c=20.4417(15)Å
α=90.00° β=106.113(3)° γ=90.00°
2-Amino-6-benzyloxy-4-piperidino-pyrimidine
C16H20N4O
Acta Crystallographica Section B (2003) 59, 2 263-276
a=6.5025(2)Å b=11.8006(4)Å c=20.7673(10)Å
α=76.1950(14)° β=82.3623(14)° γ=77.330(4)°
2-Amino-4-(N-butylamino)-6-(3-pyridyl)methoxy-5-nitrosopyrimidine
C14H18N6O2
Acta Crystallographica Section B (2003) 59, 2 263-276
a=28.3925(6)Å b=8.1627(3)Å c=15.1540(5)Å
α=90.00° β=121.9700(13)° γ=90.00°
2-(Benzotriazol-1-ylmethyl)-1-phenyl-3-pyrazolidinone
C16H15N5O
Acta Crystallographica Section E (2003) 59, 1 o66-o69
a=6.4009(2)Å b=8.3596(3)Å c=13.2794(5)Å
α=92.7780(10)° β=94.3820(10)° γ=95.039(3)°
4-(4-bromophenyl)-3,7,7-trimethyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b] quinolin-5(6H)-one
C19H20BrN3O
Acta Crystallographica Section E (2001) 57, 2 o151-o153
a=8.6673(2)Å b=14.6092(3)Å c=14.4783(5)Å
α=90.00° β=107.2870(10)° γ=90.00°
3,7,7-Trimethyl-4-(β-naphthyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one
C23H23N3O
Acta Crystallographica Section E (2001) 57, 2 o160-o162
a=9.1222(18)Å b=15.281(3)Å c=14.346(3)Å
α=90.00° β=106.13(3)° γ=90.00°
5-(1,3-Benzothiazol-2-yliminomethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
C14H12N2O4S
Acta Crystallographica Section E (2001) 57, 2 o180-o181
a=6.3459(13)Å b=19.235(4)Å c=11.144(2)Å
α=90.00° β=103.07(3)° γ=90.00°
6-(2-Hydroxybenzoyl)-2-(4-nitrophenyl)pyrazolo[1,5-a]pyrimidine
C19H12N4O4
Acta Crystallographica Section E (2001) 57, 2 o182-o184
a=5.5421(2)Å b=11.5858(5)Å c=23.8057(13)Å
α=90.00° β=90.00° γ=90.00°
5,5-Dimethyl-3-[(5-phenyl-1H-pyrazol-3-yl)amino]cyclohex-2-en-1-one
C17H19N3O
Acta Crystallographica Section E (2001) 57, 2 o185-o186
a=19.0427(2)Å b=9.6024(4)Å c=16.6135(7)Å
α=90.00° β=90.00° γ=90.00°
6-(2-hydroxybenzoyl)-2-phenylpyrazolo[1,5-a]pyrimidine
C19H13N3O2
Acta Crystallographica Section E (2001) 57, 2 o187-o188
a=5.6606(2)Å b=11.7048(5)Å c=21.6815(10)Å
α=90.00° β=94.7970(15)° γ=90.00°
3,7,7-Trimethyl-4-(4-methoxyphenyl)-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]- quinolin-5(6H)-one (4).
C20H23N3O2
Acta Crystallographica Section E (2001) 57, 2 o154-o156
a=8.5820(3)Å b=14.7031(5)Å c=14.5369(8)Å
α=90.00° β=106.0610(15)° γ=90.00°
3,7,7-Trimethyl-4-phenyl-4,7,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5- (6H)-one
C19H21N3O
Acta Crystallographica Section E (2001) 57, 2 o157-o159
a=10.0870(5)Å b=14.1978(5)Å c=11.1928(8)Å
α=90.00° β=96.0340(14)° γ=90.00°
6-(1H-1,2,3-Benzotriazol-1-yl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline
C17H16N4
Acta Crystallographica Section E (2001) 57, 2 o178-o179
a=10.7112(3)Å b=10.8297(3)Å c=23.6321(5)Å
α=90.00° β=90.00° γ=90.00°
N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycylglycinate
C9H12N6O5
Acta Crystallographica Section E (2002) 58, 8 o942-o945
a=7.4727(6)Å b=8.2356(4)Å c=9.6678(8)Å
α=81.208(5)° β=88.722(3)° γ=76.169(4)°
2,6-Diphenylpyridine
C17H13N
Acta Crystallographica Section E (2007) 63, 12 o4833-o4833
a=16.1368(16)Å b=12.5371(14)Å c=6.2969(4)Å
α=90.00° β=90.00° γ=90.00°
Triaqua-bis[N-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2- yl)glycylglycinato]calcium
C18H28CaN12O13
Acta Crystallographica Section C (2001) 57, 6 680-682
a=12.7815(7)Å b=7.7010(7)Å c=26.271(2)Å
α=90° β=96.418(5)° γ=90°
1,3-diamino-4 -nitrobenzene
C6H7N3O2
Acta Crystallographica Section C (2001) 57, 4 455-458
a=4.4772(3)Å b=11.1379(7)Å c=13.1891(9)Å
α=90.00° β=94.7480(10)° γ=90.00°
3,5-dinitroaniline
C6H5N3O4
Acta Crystallographica Section C (2001) 57, 4 455-458
a=8.5377(6)Å b=14.0119(9)Å c=12.7071(8)Å
α=90.00° β=90.899(2)° γ=90.00°
N-(2-amino-1,6-dihydro-5-nitroso-6-oxopyrimidin-4-yl)-L- isoleucine--water (4/1)
2C10H15N5O4,0.5H2O
Acta Crystallographica Section C (2001) 57, 5 604-607
a=21.4179(6)Å b=11.1466(2)Å c=14.9649(3)Å
α=90° β=133.4280(6)° γ=90°
4,5-Dimethyl-2-nitroaniline
C8H10N2O2
Acta Crystallographica Section C (2001) 57, 2 216-221
a=7.1422(14)Å b=7.4564(15)Å c=17.044(3)Å
α=81.43(3)° β=89.27(3)° γ=61.84(3)°
4-Methyl-3-nitroaniline
C7H8N2O2
Acta Crystallographica Section C (2001) 57, 2 216-221
a=7.3814(2)Å b=8.2085(3)Å c=23.5355(9)Å
α=87.9310(13)° β=89.8880(12)° γ=88.371(2)°
4-Methyl-2-nitroaniline
C7H8N2O2
Acta Crystallographica Section C (2001) 57, 2 216-221
a=7.8329(15)Å b=7.990(2)Å c=12.369(3)Å
α=79.766(17)° β=81.257(19)° γ=69.646(8)°
Ethyl N-[2-benzylamino-6-benzyloxy-5-nitrosopyrimidin-4-yl]glycinate
C22H23N5O4
Acta Crystallographica Section C (2002) 58, 7 o425-o427
a=15.2278(8)Å b=15.8992(5)Å c=8.5558(3)Å
α=90.00° β=97.5860(11)° γ=90.00°
4-(Allylamino)-2-amino-6-benzyloxy-5-nitrosopyrimidine
C14H15N5O2
Acta Crystallographica Section C (2002) 58, 7 o442-o444
a=8.0338(6)Å b=24.627(2)Å c=7.4087(5)Å
α=90.00° β=106.872(2)° γ=90.00°
N,N'-Dithiobisphthalimide--nitrobenzene (2/1)
2C16H8N2O4S2,C6H5NO2
Acta Crystallographica Section C (2002) 58, 9 o551-o554
a=7.7070(2)Å b=16.1001(3)Å c=14.3067(4)Å
α=90.00° β=95.0770(10)° γ=90.00°
2-Amino-4,6-dimethoxy-5-nitrosopyrimidine--water (4/3)
4C6H8N4O3,3H2O
Acta Crystallographica Section C (2002) 58, 11 o655-o657
a=6.9588(4)Å b=7.1984(4)Å c=17.4239(11)Å
α=101.181(2)° β=98.559(2)° γ=95.360(4)°
2-Benzylamino-4-benzyloxy-6-methylpyrimidine
C19H19N3O
Acta Crystallographica Section C (2003) 59, 1 o9-o13
a=5.8932(2)Å b=18.2849(7)Å c=15.1175(7)Å
α=90.00° β=98.704(2)° γ=90.00°
4-Benzylamino-2,6-bis(benzyloxy)pyrimidine
C25H23N3O2
Acta Crystallographica Section C (2003) 59, 1 o9-o13
a=5.6056(2)Å b=18.2446(5)Å c=20.6480(8)Å
α=90.00° β=100.9650(10)° γ=90.00°
2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 1 polymorph
C8H11ClN4O
Acta Crystallographica Section C (2003) 59, 1 o4-o8
a=9.4143(4)Å b=13.0869(4)Å c=7.5774(2)Å
α=90.00° β=96.4260(13)° γ=90.00°
2-Amino-4-chloro-6-morpholinopyrimidine, Z' = 2 polymorph
C8H11ClN4O
Acta Crystallographica Section C (2003) 59, 1 o4-o8
a=13.9215(3)Å b=8.1803(2)Å c=19.6390(4)Å
α=90.00° β=121.6130(12)° γ=90.00°
2-Amino-4-chloro-6-piperidinopyrimidine
C9H13ClN4
Acta Crystallographica Section C (2003) 59, 1 o4-o8
a=13.8139(2)Å b=8.48040(10)Å c=19.8379(3)Å
α=90.00° β=120.6770(9)° γ=90.00°
2-Amino-4,6-dimethoxy-5-nitropyrimidine
C6H8N4O4
Acta Crystallographica Section C (2003) 59, 1 o14-o18
a=7.3443(2)Å b=7.8437(2)Å c=14.9129(4)Å
α=90° β=109.9470(13)° γ=90°
2-Amino-4-methoxy-6-methylpyrimidine
C6H9N3O
Acta Crystallographica Section C (2003) 59, 1 o9-o13
a=8.1442(17)Å b=6.5456(11)Å c=12.285(2)Å
α=90.00° β=90.00° γ=90.00°
4-amino-2,6-dimethoxy-5-nitropyrimidine
C6H8N4O4
Acta Crystallographica Section C (2003) 59, 1 o14-o18
a=6.8427(2)Å b=9.9742(5)Å c=13.2752(5)Å
α=79.007(2)° β=75.577(3)° γ=72.547(2)°
2-Amino-5-nitro-4,6-dipiperidinopyrimidinium hydrogensulfate monohydrate
C14H23N6O21,HO4S1,H2O
Acta Crystallographica Section C (2003) 59, 3 o102-o104
a=14.0307(3)Å b=6.12770(10)Å c=21.5135(5)Å
α=90.00° β=91.4850(10)° γ=90.00°
2-Amino-4-butylamino-6-methoxy-5-nitropyrimidine
C9H15N5O3
Acta Crystallographica Section C (2003) 59, 1 o19-o21
a=20.5825(13)Å b=8.8102(4)Å c=13.0289(11)Å
α=90° β=109.810(3)° γ=90°
4-Amino-2,6-dimethoxypyrimidine
C6H9N3O2
Acta Crystallographica Section C (2003) 59, 4 o202-o204
a=13.5867(6)Å b=7.8621(2)Å c=13.9932(6)Å
α=90.00° β=90.00° γ=90.00°
(R)-1-Phenylethylammonium 6-amino-5-nitropyrimidine-2,4(1H,3H)-dionate (R)-1-phenylethylamine hemisolvate
2C8H12N1,2C4H3N4O41,C8H11N1
Acta Crystallographica Section C (2003) 59, 5 o240-o243
a=8.8183(3)Å b=9.6999(4)Å c=10.4089(5)Å
α=86.787(2)° β=86.377(2)° γ=78.798(3)°
2-Benzylamino-6-benzyloxypyrimidin-4(3H)-one
C18H17N3O2
Acta Crystallographica Section C (2003) 59, 7 o400-o402
a=10.7611(4)Å b=8.0306(3)Å c=34.9826(17)Å
α=90° β=98.5740(15)° γ=90°
4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 1
C12H13N3OS
Acta Crystallographica Section C (2003) 59, 8 o454-o460
a=9.7139(2)Å b=9.5846(2)Å c=12.6431(2)Å
α=90.00° β=103.4465(13)° γ=90.00°
4-Amino-1-benzyl-2-(methylsulfanyl)-5-nitrosopyrimidin-6(1H)-one
C12H12N4O2S
Acta Crystallographica Section C (2003) 59, 8 o454-o460
a=10.5035(3)Å b=10.8741(3)Å c=11.8261(4)Å
α=109.6510(13)° β=96.4203(14)° γ=93.7181(14)°
4-Amino-1-benzyl-2-(methylsulfanyl)pyrimidin-6(1H)-one, polymorph with Z' = 2 'C12 H13 N3 O S'
C24H25.95N6.05O2.05S2
Acta Crystallographica Section C (2003) 59, 8 o454-o460
a=11.4629(2)Å b=10.2603(2)Å c=20.9303(4)Å
α=90.00° β=107.0920(14)° γ=90.00°
5-(ethylcarboxylate)-6-methoxy-2-pyrimidinamine
C9H12N2O3
Acta Crystallographica Section C (2001) 57, 9 1103-1105
a=7.4906(2)Å b=10.2409(2)Å c=13.1449(3)Å
α=104.9607(9)° β=90.7398(9)° γ=101.2452(9)°
C12H12N4O2S
C12H12N4O2S
Acta Crystallographica Section C (2002) 58, 5 o284-o286
a=15.6152(10)Å b=9.1842(6)Å c=17.7920(11)Å
α=90.00° β=90.830(2)° γ=90.00°
2-Amino-4,6-dimethoxypyrimidine
C6H9N3O2
Acta Crystallographica Section C (2002) 58, 5 o289-o294
a=12.3971(5)Å b=8.3608(5)Å c=14.5237(7)Å
α=90° β=106.585(3)° γ=90°
2-Benzylamino-4,6-bis(benzyloxy)pyrimidine
C25H23N3O2
Acta Crystallographica Section C (2002) 58, 5 o289-o294
a=5.8083(6)Å b=12.3104(13)Å c=15.7260(16)Å
α=68.549(2)° β=85.978(2)° γ=82.737(2)°
2-amino-4,6-bis(N-pyrrolidino)pyrimidine
C12H19N5
Acta Crystallographica Section C (2002) 58, 5 o289-o294
a=12.5654(8)Å b=13.2735(8)Å c=14.2279(9)Å
α=90° β=93.090(2)° γ=90°
2-Amino-4,6-bis(benzyloxy)-5-nitrosopyrimidine
C18H16N4O3
Acta Crystallographica Section C (2002) 58, 6 o355-o358
a=11.0731(5)Å b=7.3642(3)Å c=22.9129(11)Å
α=90° β=111.456(2)° γ=90°
Ethyl 5-cyano-2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3-carboxylate
C15H15N3O5
Acta Crystallographica Section C (2006) 62, 1 o8-o12
a=8.0214(3)Å b=13.7477(4)Å c=13.2847(4)Å
α=90.00° β=95.3019(17)° γ=90.00°
Diethyl 2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate
C17H20N2O7
Acta Crystallographica Section C (2006) 62, 1 o8-o12
a=8.0511(2)Å b=15.173(4)Å c=14.470(4)Å
α=90.00° β=105.760(2)° γ=90.00°
2,6-dimethyl-4-(5-nitro-2-furyl)-1,4-dihydropyridine-3,5-dicarbonitrile
C13H10N4O3
Acta Crystallographica Section C (2006) 62, 1 o8-o12
a=9.5651(3)Å b=7.5735(2)Å c=17.6385(5)Å
α=90.00° β=96.2570(13)° γ=90.00°
2-(<i>tert</i>-Butylamino)-4-chloro-6-ethylamino-1,3,5-triazine
C9H16ClN5
Acta Crystallographica Section C (2008) 64, 8 o463-o466
a=23.557(3)Å b=9.9789(15)Å c=20.3594(17)Å
α=90.00° β=90.00° γ=90.00°
4-Amino-6-benzyloxy-2-(methylsulfanyl)pyrimidine
C12H13N3OS
Acta Crystallographica Section C (2003) 59, 8 o454-o460
a=15.747(2)Å b=5.1044(7)Å c=15.501(3)Å
α=90.00° β=105.286(5)° γ=90.00°