Information card for entry 4505912

Structure parameters

• Chemical name: '2,2'-dihydroxybenzophenone
• Formula: C13 H10 O3
• Calculated formula: C13 H10 O3
• SMILES: c1(c(cccc1)O)C(=O)c1c(cccc1)O
• Title of publication: Solid-State Dilution of Dihydroxybenzophenones with 4,13-Diaza-18-crown-6 for Photocrystallographic Studies
• Authors of publication: Cole, Jacqueline M.; Waddell, Paul G.; Jayatilaka, Dylan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 2277
• a: 7.746 ± 0.007 Å
• b: 12.245 ± 0.011 Å
• c: 11.243 ± 0.01 Å
• α: 90°
• β: 109.523 ± 0.001°
• γ: 90°
• Cell volume: 1005.1 ± 1.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.1585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No