Information card for entry 2008544

Structure parameters

• Chemical name: (R)-(+)-2-(4-Chlorophenoxy)propionic acid
• Formula: C9 H9 Cl O3
• Calculated formula: C9 H9 Cl O3
• SMILES: Clc1ccc(O[C@H](C)C(=O)O)cc1
• Title of publication: (<i>R</i>)-(+)-2-(4-Chlorophenoxy)propionic acid
• Authors of publication: Henning Osholm Sørensen; André Collet; Sine Larsen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 953 - 956
• a: 6.377 ± 0.002 Å
• b: 6.972 ± 0.003 Å
• c: 10.514 ± 0.016 Å
• α: 90°
• β: 104.45°
• γ: 90°
• Cell volume: 452.7 ± 0.7 ų
• Cell temperature: 122 ± 0.2 K
• Ambient diffraction temperature: 122 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes