Information card for entry 2004675

Structure parameters

• Formula: C37 H26 O2
• Calculated formula: C37 H26 O2
• SMILES: O=C([C@]12[C@@H](c3ccccc3[C@@H]2C(=O)c2ccccc2)c2ccccc2/C1=C\c1ccccc1)c1ccccc1.O=C([C@@]12[C@H](c3ccccc3[C@H]2C(=O)c2ccccc2)c2ccccc2/C1=C\c1ccccc1)c1ccccc1
• Title of publication: A Photoproduct Derived from 9-Benzyl-Substituted Dibenzobarrelene
• Authors of publication: Mathew, T.; Kumar, S. A.; Das, S.; Rath, N. P.; George, M. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 942 - 944
• a: 9.498 ± 0.002 Å
• b: 14.443 ± 0.003 Å
• c: 20.318 ± 0.004 Å
• α: 78.56 ± 0.03°
• β: 85.43 ± 0.03°
• γ: 88.77 ± 0.03°
• Cell volume: 2723.1 ± 1 ų
• Cell temperature: 298 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: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0796
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No