Information card for entry 2008718

Structure parameters

• Formula: C11 H10 O2
• Calculated formula: C11 H10 O2
• SMILES: C1(=O)C=CC(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]12)C3.C1(=O)C=CC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]12)C3
• Title of publication: 1,4,4a,5,8,8a-Hexahydro-1,4-methanonaphthalene-5,8-dione
• Authors of publication: Söntgen, Olaf; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: IUC9900076
• a: 15.373 ± 0.003 Å
• b: 6.536 ± 0.001 Å
• c: 17.8 ± 0.004 Å
• α: 90°
• β: 100.61 ± 0.01°
• γ: 90°
• Cell volume: 1757.9 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.078
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes