Information card for entry 2210917

Structure parameters

• Chemical name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid
• Formula: C10 H10 O3
• Calculated formula: C10 H10 O3
• SMILES: OC(=O)/C=C/c1ccc(OC)cc1
• Title of publication: Hydrogen-bonded chains of rings in (<i>E</i>)-4-methoxycinnamic acid
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5141 - o5143
• a: 4.845 ± 0.002 Å
• b: 8.348 ± 0.004 Å
• c: 11.808 ± 0.006 Å
• α: 109.015 ± 0.006°
• β: 91.841 ± 0.005°
• γ: 99.284 ± 0.006°
• Cell volume: 443.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes