Information card for entry 2009615

Structure parameters

• Formula: C21 H18 O2
• Calculated formula: C21 H18 O2
• SMILES: O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)C2=C1[C@H]1C=C[C@@H]2C1)C1=C3[C@H]2C=C[C@@H]1C2
• Title of publication: Cycloaddition products of tricyclo[6.2.1.0^2,7^]undeca-2(7),4,9-triene-3,6-dione
• Authors of publication: Pattabhi, V.; Banumathi, S.; Goverdhan, M.; Padma, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 4
• Pages of publication: 594 - 597
• a: 7.925 ± 0.001 Å
• b: 9.281 ± 0.002 Å
• c: 20.918 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1538.6 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.099
• Goodness-of-fit parameter for significantly intense reflections: 3.25
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No