Information card for entry 2021063

Structure parameters

• Chemical name: 4-Hydroxybenzophenone
• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: C(=O)(c1ccc(cc1)O)c1ccccc1
• 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: 15.0087 ± 0.0016 Å
• b: 13.8489 ± 0.0013 Å
• c: 19.52 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4057.3 ± 0.7 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: 0.1027
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes