Information card for entry 2219658

Structure parameters

• Chemical name: Tricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-dione
• Formula: C11 H10 O2
• Calculated formula: C11 H10 O2
• SMILES: O=C1C=CC(=O)[C@@H]2[C@H]1[C@H]1C[C@@H]2C=C1
• Title of publication: Tricyclo[6.2.1.0^2,7^]undeca-4,9-diene-3,6-dione
• Authors of publication: Wang, Chongchen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2002
• a: 15.649 ± 0.003 Å
• b: 6.5399 ± 0.0013 Å
• c: 21.448 ± 0.007 Å
• α: 90°
• β: 125.05 ± 0.02°
• γ: 90°
• Cell volume: 1797 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes