Information card for entry 4502984

Structure parameters

• Formula: C5 H6 O
• Calculated formula: C5 H6 O
• 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: 17.3804 ± 0.0012 Å
• b: 6.1389 ± 0.0005 Å
• c: 16.9998 ± 0.0012 Å
• α: 90°
• β: 91.0253 ± 0.0035°
• γ: 90°
• Cell volume: 1813.5 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• RFsqd: 0.07285
• Goodness-of-fit parameter for all reflections: 1.49
• 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