Information card for entry 2005678

Structure parameters

• Formula: C32.5 H26 O4.5
• Calculated formula: C32.48 H24 O4.48
• SMILES: OC.CO[C@@]12OC(=C3[C@@]2(C(=O)c2ccccc2)[C@@](c2c1cccc2)(OC)c1c3cccc1)c1ccccc1.CO[C@]12OC(=C3[C@]2(C(=O)c2ccccc2)[C@](c2c1cccc2)(OC)c1c3cccc1)c1ccccc1
• 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: 11.664 ± 0.004 Å
• b: 17.476 ± 0.006 Å
• c: 12.408 ± 0.004 Å
• α: 90°
• β: 94.81 ± 0.03°
• γ: 90°
• Cell volume: 2520.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1571
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.0684
• Goodness-of-fit parameter for all reflections: 0.777
• Goodness-of-fit parameter for significantly intense reflections: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No