Information card for entry 2104099

Structure parameters

• Common name: 3-Hydroxybenzophenone
• Formula: C13 H10 O2
• Calculated formula: C13 H10 O2
• SMILES: O=C(c1cc(O)ccc1)c1ccccc1
• Title of publication: Conformations of substituted benzophenones
• Authors of publication: Cox, Philip J.; Kechagias, Dimitrios; Kelly, Orla
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: 206 - 216
• a: 4.0462 ± 0.0001 Å
• b: 20.2165 ± 0.0006 Å
• c: 11.8058 ± 0.0003 Å
• α: 90°
• β: 90.929 ± 0.002°
• γ: 90°
• Cell volume: 965.59 ± 0.04 ų
• Cell temperature: 120 ± 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 significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes