Information card for entry 8106306

Structure parameters

• Formula: C23 H21 N O5
• Calculated formula: C23 H21 N O5
• SMILES: NC1=C(C(c2c(=O)oc3c(cccc3)c2O1)c1cc(C)c(C)cc1)C(=O)OCC
• Title of publication: Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-5-oxo-4H,5H-pyrano[3,2-c] chromene-3-carboxylate, C23H21NO5
• Authors of publication: Liu, Xue-Kun; Geng, Xiao-Yu; Zhang, Meng; Ye, Bai-Jun; Shi, Zhan; Wang, Yan-Qiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 815 - 816
• a: 15.829 ± 0.011 Å
• b: 8.294 ± 0.006 Å
• c: 14.718 ± 0.01 Å
• α: 90°
• β: 93.339 ± 0.012°
• γ: 90°
• Cell volume: 1929 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• 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: 0.0976
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No