Information card for entry 2011523

Structure parameters

• Common name: 4-vinylbenzoic acid
• Chemical name: 4-vinylbenzoic acid
• Formula: C9 H8 O2
• Calculated formula: C9 H8 O2
• SMILES: O=C(O)c1ccc(cc1)C=C
• Title of publication: 4-Vinylbenzoic acid and 9-vinylanthracene
• Authors of publication: Yasuda, Nobuhiro; Uekusa, Hidehiro; Ohashi, Yuji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1364 - 1366
• a: 8.3945 ± 0.0009 Å
• b: 6.4096 ± 0.0007 Å
• c: 13.8798 ± 0.0014 Å
• α: 90°
• β: 103.899 ± 0.004°
• γ: 90°
• Cell volume: 724.94 ± 0.13 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 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: 0.0404
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes