Information card for entry 8105553

Structure parameters

• Formula: C21 H16 Br N O5
• Calculated formula: C21 H16 Br N O5
• Title of publication: Crystal structure of ethyl 2-amino-4-(3-bromophenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C21H16BrNO5
• Authors of publication: Gou, Wei; Chen, Wei-Yong; Chen, Gang; Li, Wen-Jun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 95 - 96
• a: 10.146 ± 0.005 Å
• b: 8.188 ± 0.004 Å
• c: 22.204 ± 0.004 Å
• α: 90°
• β: 90.72 ± 0.009°
• γ: 90°
• Cell volume: 1844.5 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.1289
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No