Information card for entry 2005679

Structure parameters

• Formula: C33 H28 O5
• Calculated formula: C33 H28 O5
• SMILES: O([C@@]12c3ccccc3[C@@]3(OC)O[C@](OC)([C@@H](c4c1cccc4)[C@@]23C(=O)c1ccccc1)c1ccccc1)C.O([C@]12c3ccccc3[C@]3(OC)O[C@@](OC)([C@H](c4c1cccc4)[C@]23C(=O)c1ccccc1)c1ccccc1)C
• Title of publication: Two Photoproducts Derived from 11,12-Dibenzoyl-9,10-dihydro-9,10-dimethoxy-9,10-ethenoanthracene
• Authors of publication: Kumar, S. A.; Mathew, T.; Das, S.; Rath, N. P.; George, M. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 11
• Pages of publication: 2797 - 2800
• a: 17.513 ± 0.005 Å
• b: 14.897 ± 0.006 Å
• c: 19.587 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5110 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for all reflections: 0.1041
• Weighted residual factors for significantly intense reflections: 0.0975
• Goodness-of-fit parameter for all reflections: 0.97
• Goodness-of-fit parameter for significantly intense reflections: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No