Information card for entry 4505188

Structure parameters

• Formula: C9 H8 O2
• Calculated formula: C9 H8 O2
• SMILES: C(=O)(/C=C/c1ccccc1)O
• 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: 31.296 ± 0.004 Å
• b: 4.0152 ± 0.0017 Å
• c: 6.083 ± 0.002 Å
• α: 90°
• β: 90.146 ± 0.019°
• γ: 90°
• Cell volume: 764.4 ± 0.4 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.1009
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No