Information card for entry 2231159

Structure parameters

• Chemical name: Bis(2-hydroxyphenyl)methanone
• Formula: C13 H10 O3
• Calculated formula: C13 H10 O3
• SMILES: O=C(c1c(O)cccc1)c1c(O)cccc1
• Title of publication: Bis(2-hydroxyphenyl)methanone
• Authors of publication: Betz, Richard; Gerber, Thomas; Schalekamp, Henk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1897
• a: 7.7371 ± 0.0002 Å
• b: 12.2169 ± 0.0004 Å
• c: 11.3419 ± 0.0003 Å
• α: 90°
• β: 110.61 ± 0.002°
• γ: 90°
• Cell volume: 1003.46 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes