Information card for entry 2005710

Structure parameters

• Chemical name: 4,4'-Dihydroxybenzophenone
• Formula: C13 H10 O3
• Calculated formula: C13 H9.722 O3
• SMILES: O=C(c1ccc(cc1)O)c1ccc(cc1)O
• Title of publication: Two- and Three-Dimensional Hydrogen-Bonding Networks in the Structures of 4,4'-Dihydroxybenzophenone and 4,4'-Thiodiphenol
• Authors of publication: Ferguson, G.; Glidewell, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3057 - 3062
• a: 9.45 ± 0.002 Å
• b: 24.456 ± 0.003 Å
• c: 9.484 ± 0.002 Å
• α: 90°
• β: 103.607 ± 0.013°
• γ: 90°
• Cell volume: 2130.3 ± 0.7 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.2265
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for all reflections: 0.2188
• Weighted residual factors for significantly intense reflections: 0.1809
• Goodness-of-fit parameter for all reflections: 0.917
• Goodness-of-fit parameter for significantly intense reflections: 1.454
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No