Crystallography Open Database

Information card for entry 8101663

Preview

Coordinates	8101663.cif

Structure parameters

Formula	C20 H24 O6
Calculated formula	C20 H24 O6
SMILES	O=C1[C@@]2(O)[C@]3(O)C(=O)C(=C[C@]([C@@](C=C1CC)(C2=O)CC)(C3=O)CC)CC.O=C1[C@]2(O)[C@@]3(O)C(=O)C(=C[C@@]([C@](C=C1CC)(C2=O)CC)(C3=O)CC)CC
Title of publication	Crystal structure of 1,2-dihydroxytricyclo[5.3.1.1^2,6^]dodeca-4,8- dien-3,10,11,12-tetraone, C~20~H~24~O~6~
Authors of publication	Krämer, W.; Geyer, E.; Schollmeyer, D.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	1998
Journal volume	213
Journal issue	4
Pages of publication	785 - 786
a	24.9916 ± 0.0007 Å
b	8.77 ± 0.0003 Å
c	18.4892 ± 0.0004 Å
α	90°
β	117.052 ± 0.002°
γ	90°
Cell volume	3609.04 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.2576
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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