Information card for entry 2224428

Structure parameters

• Chemical name: Cinnamyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Formula: C19 H14 O4
• Calculated formula: C19 H14 O4
• SMILES: o1c2ccccc2cc(c1=O)C(=O)OC/C=C/c1ccccc1
• Title of publication: Cinnamyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Authors of publication: Xu, Cui-Lian; Yang, Nan; Yang, Guo-Yu; Fan, Su-Fang; Niu, Cao-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2991
• a: 5.7026 ± 0.0011 Å
• b: 8.2969 ± 0.0017 Å
• c: 31.693 ± 0.006 Å
• α: 90°
• β: 92.96 ± 0.03°
• γ: 90°
• Cell volume: 1497.5 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0743
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes