Information card for entry 2232259

Structure parameters

• Chemical name: Pentyl (<i>E</i>)-3-(3,4-dihydroxyphenyl)acrylate
• Formula: C14 H18 O4
• Calculated formula: C14 H18 O4
• SMILES: Oc1ccc(cc1O)/C=C/C(=O)OCCCCC
• Title of publication: Pentyl (<i>E</i>)-3-(3,4-dihydroxyphenyl)acrylate
• Authors of publication: Wang, Jun; Gu, Shuangshuang; Zhang, Leixia; Wu, Fuan; Guo, Xijie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2871
• a: 5.307 ± 0.0011 Å
• b: 10.567 ± 0.002 Å
• c: 11.816 ± 0.002 Å
• α: 90.96 ± 0.03°
• β: 91.84 ± 0.03°
• γ: 98.6 ± 0.03°
• Cell volume: 654.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0831
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes