Information card for entry 2003631

Structure parameters

• Formula: C9 H10 O5
• Calculated formula: C9 H10 O5
• SMILES: O(c1cc(ccc1O)C(O)C(=O)O)C
• Title of publication: <small>DL</small>-4-Hydroxy-3-methoxymandelic Acid
• Authors of publication: Okabe, N.; Suga, T.; Kohyama, Y.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1322 - 1324
• a: 10.086 ± 0.003 Å
• b: 8.829 ± 0.002 Å
• c: 10.503 ± 0.002 Å
• α: 90°
• β: 103.43 ± 0.02°
• γ: 90°
• Cell volume: 909.7 ± 0.4 ų
• Cell temperature: 296 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: 0.047
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 1.71
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No