Information card for entry 4505913

Structure parameters

• Chemical name: 2,4-dihydroxybenzophenone
• Formula: C13 H10 O3
• Calculated formula: C13 H10 O3
• SMILES: c1(ccccc1)C(=O)c1c(cc(cc1)O)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: 7.211 ± 0.003 Å
• b: 19.098 ± 0.009 Å
• c: 7.513 ± 0.003 Å
• α: 90°
• β: 92.835 ± 0.007°
• γ: 90°
• Cell volume: 1033.4 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No