Information card for entry 2202070

Structure parameters

• Chemical name: (RS)-phenylsuccinic acid
• Formula: C10 H10 O4
• Calculated formula: C10 H10 O4
• SMILES: C(=O)(C(CC(=O)O)c1ccccc1)O
• Title of publication: (<i>RS</i>)-Phenylsuccinic acid
• Authors of publication: Andreas Fischer; Veronica M. Profir
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o485 - o487
• a: 5.428 ± 0.012 Å
• b: 10.368 ± 0.006 Å
• c: 17.625 ± 0.009 Å
• α: 102.82 ± 0.05°
• β: 94.1 ± 0.14°
• γ: 100.5 ± 0.09°
• Cell volume: 944 ± 2 ų
• Cell temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes