Information card for entry 2206262

Structure parameters

• Chemical name: (S)-3-[4-(Benzyloxy)phenyl]-2-hydroxypropanoic acid
• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• SMILES: O(Cc1ccccc1)c1ccc(cc1)C[C@H](O)C(=O)O
• Title of publication: (<i>S</i>)-3-[4-(Benzyloxy)phenyl]-2-hydroxypropanoic acid
• Authors of publication: Wang, He-Qing; Zeng, Qing-Le; Fang, Hua; Huang, Rong-Bin; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2286 - o2287
• a: 8.532 ± 0.004 Å
• b: 5.782 ± 0.002 Å
• c: 14.05 ± 0.006 Å
• α: 90°
• β: 102.784 ± 0.007°
• γ: 90°
• Cell volume: 675.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.863
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes