Information card for entry 2221346

Structure parameters

• Chemical name: <i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9,10-dione
• Formula: C10 H8 O2
• Calculated formula: C10 H8 O2
• SMILES: O=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)[C@@H]2C=C1
• Title of publication: <i>anti</i>-Tricyclo[4.2.1.1^2,5^]deca-3,7-diene-9,10-dione
• Authors of publication: Gidaly, Matthew P.; Harris, Andria D.; Amado-Sierra, Maria del Rosario I.; Jones, Daniel S.; Etzkorn, Markus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o729
• a: 6.4458 ± 0.0007 Å
• b: 6.612 ± 0.0006 Å
• c: 8.9758 ± 0.0006 Å
• α: 81.671 ± 0.008°
• β: 79.176 ± 0.01°
• γ: 84.745 ± 0.008°
• Cell volume: 370.96 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes