Information card for entry 4500717

Structure parameters

• Common name: L-3-phenyllactic acid
• Chemical name: (S)-2-hydroxy-3-phenylpropionic acid
• Formula: C9 H10 O3
• Calculated formula: C9 H10 O3
• SMILES: [C@@H](C(=O)O)(Cc1ccccc1)O
• Title of publication: Investigation of Stability and Structure in Three Homochiral and Heterochiral Crystalline Forms of 3-Phenyllactic Acid
• Authors of publication: Navare, Pranoti S.; MacDonald, John C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 2422
• a: 5.8389 ± 0.0003 Å
• b: 8.3195 ± 0.0005 Å
• c: 16.9691 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 824.3 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0718
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No