Information card for entry 8101427

Structure parameters

• Formula: C16 H16 O2
• Calculated formula: C16 H16 O2
• SMILES: O=C1[C@@H]2[C@H](C(=O)[C@H]3[C@@H]1[C@H]1C=C[C@@H]3C1)[C@@H]1C=C[C@H]2C1
• Title of publication: Crystal structure of 1,4:5,8-dimethano-1,1a,4,4a,5,5a,8,8a-octahydro- anthracene-9,10-dione, C~16~H~16~O~2~
• Authors of publication: Güneş, Bilal; Soylu, Hüseyin; Özbey, Süheyla; Aydın, Ali
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 29 - 30
• a: 12.0005 ± 0.0007 Å
• b: 6.2388 ± 0.0009 Å
• c: 16.9734 ± 0.0015 Å
• α: 90°
• β: 110.609 ± 0.006°
• γ: 90°
• Cell volume: 1189.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1084
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No