Information card for entry 2234003

Structure parameters

• Chemical name: (<i>E</i>)-Isopentyl 3-(3,4-dihydroxyphenyl)acrylate
• Formula: C14 H18 O4
• Calculated formula: C14 H18 O4
• SMILES: c1c(O)c(O)ccc1/C=C/C(=O)OCCC(C)C
• Title of publication: (<i>E</i>)-Isopentyl 3-(3,4-dihydroxyphenyl)acrylate
• Authors of publication: Gu, Shuang-Shuang; Wang, Jun; Pan, Fei; Pang, Na; Wu, Fu-An
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o557
• a: 5.279 ± 0.0011 Å
• b: 10.244 ± 0.002 Å
• c: 13.834 ± 0.003 Å
• α: 69.05 ± 0.03°
• β: 80.11 ± 0.03°
• γ: 78.79 ± 0.03°
• Cell volume: 681 ± 0.3 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: 0.1215
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes