Information card for entry 2240626

Structure parameters

• Chemical name: 4-Methoxyphenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Formula: C17 H12 O5
• Calculated formula: C17 H12 O5
• SMILES: O(C)c1ccc(OC(=O)c2c(=O)oc3ccccc3c2)cc1
• Title of publication: Crystal structure of 4-methoxyphenyl 2-oxo-2<i>H</i>-chromene-3-carboxylate
• Authors of publication: Devarajegowda, H.C.; Suchetan, P. A.; Sreenivasa, S.; Srinivasa, H. T.; Palakshamurthy, B. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 6
• Pages of publication: o374 - o375
• a: 6.2648 ± 0.0018 Å
• b: 10.435 ± 0.003 Å
• c: 20.621 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes