Information card for entry 2208209

Structure parameters

• Chemical name: 2-benzyloxy-2-hydroxy-1-phenylethanone
• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O=C(c1ccccc1)C(O)OCc1ccccc1
• Title of publication: 2-Benzyloxy-2-hydroxy-1-phenylethanone
• Authors of publication: Shao, Qi-Yun; Shi, Wen-Bo; Zhang, Dan; Li, Chun-Bao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o584 - o585
• a: 12.019 ± 0.003 Å
• b: 5.6824 ± 0.0013 Å
• c: 19.049 ± 0.004 Å
• α: 90°
• β: 99.439 ± 0.004°
• γ: 90°
• Cell volume: 1283.4 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0899
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes