Information card for entry 2231477

Structure parameters

• Common name: 1,3-dibenzoylbenzene
• Chemical name: (3-Benzoylphenyl)(phenyl)methanone
• Formula: C20 H14 O2
• Calculated formula: C20 H14 O2
• SMILES: O=C(c1cc(ccc1)C(=O)c1ccccc1)c1ccccc1
• Title of publication: (3-Benzoylphenyl)(phenyl)methanone
• Authors of publication: Raza Ahsraf, Ahmed; Akhter, Zareen; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2432
• a: 16.2029 ± 0.0005 Å
• b: 7.8648 ± 0.0004 Å
• c: 22.8422 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2910.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes