Information card for entry 2239964

Structure parameters

• Chemical name: 1,8-Dibenzoyl-2,7-diphenoxynaphthalene
• Formula: C36 H24 O4
• Calculated formula: C36 H24 O4
• SMILES: O=C(c1c(Oc2ccccc2)ccc2ccc(Oc3ccccc3)c(c12)C(=O)c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 1,8-dibenzoyl-2,7-diphenoxynaphthalene
• Authors of publication: Narushima, Satsuki; Mohri, Saki; Yonezawa, Noriyuki; Okamoto, Akiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 170 - 173
• a: 12.7734 ± 0.0002 Å
• b: 16.4106 ± 0.0003 Å
• c: 12.9012 ± 0.0002 Å
• α: 90°
• β: 95.939 ± 0.001°
• γ: 90°
• Cell volume: 2689.82 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes