Information card for entry 8101663

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 ų
• 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 Fobs: No