Information card for entry 4505186

Structure parameters

• Formula: C9 H7 O2
• Calculated formula: C9 H7 O2
• Title of publication: Polymorphism of Cinnamic and α-Truxillic Acids: New Additions to an Old Story†
• Authors of publication: Abdelmoty, Iman; Buchholz, Vera; Di, Li; Guo, Chengyun; Kowitz, Kathleen; Enkelmann, Volker; Wegner, Gerhard; Foxman, Bruce M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 2210
• a: 7.6462 ± 0.0011 Å
• b: 18.2905 ± 0.0014 Å
• c: 5.6092 ± 0.0012 Å
• α: 90°
• β: 106.057 ± 0.016°
• γ: 90°
• Cell volume: 753.9 ± 0.2 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 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
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9664
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No