Information card for entry 4502985

Structure parameters

• Formula: C10 H12 O3
• Calculated formula: C10 H12 O3
• Title of publication: Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives
• Authors of publication: Das, Uday; Chattopadhyay, Basab; Mukherjee, Monika; Mukherjee, Alok K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 466
• a: 13.8863 ± 0.0014 Å
• b: 10.647 ± 0.0013 Å
• c: 13.9018 ± 0.0017 Å
• α: 90°
• β: 114.787 ± 0.0033°
• γ: 90°
• Cell volume: 1866 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• RFsqd: 0.14346
• Goodness-of-fit parameter for all reflections: 1.32
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No