Information card for entry 2224067

Structure parameters

• Chemical name: cinnamyl 8-methoxy-2-oxo-2<i>H</i>-chromene-3-carboxylate
• Formula: C20 H16 O5
• Calculated formula: C20 H16 O5
• SMILES: O(c1c2oc(=O)c(cc2ccc1)C(=O)OC/C=C/c1ccccc1)C
• Title of publication: Cinnamyl 8-methoxy-2-oxo-2<i>H</i>-chromene-3-carboxylate
• Authors of publication: Xu, Cui-Lian; Liu, Shan-Yu; Wang, Cai-Xia; Zhao, Ming-Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2817
• a: 19.226 ± 0.004 Å
• b: 9.5483 ± 0.0019 Å
• c: 9.0046 ± 0.0018 Å
• α: 90°
• β: 90.97 ± 0.03°
• γ: 90°
• Cell volume: 1652.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes