Information card for entry 2021067

Structure parameters

• Chemical name: 4,4'-Dimethylbenzophenone
• Formula: C15 H14 O
• Calculated formula: C15 H14 O
• SMILES: C(=O)(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Prevalent polymorphism in benzophenones
• Authors of publication: Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• a: 25.369 ± 0.003 Å
• b: 6.031 ± 0.0007 Å
• c: 15.256 ± 0.002 Å
• α: 90°
• β: 97.788 ± 0.004°
• γ: 90°
• Cell volume: 2312.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0707
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes