Information card for entry 8106303

Structure parameters

• Formula: C22 H19 N O6
• Calculated formula: C22 H19 N O6
• Title of publication: Crystal structure of ethyl 2-amino-4-(2-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO6
• Authors of publication: Wang, Ning; Liu, Yu-Hang; Gao, Ming-Lei; Zhao, Ye; Wen, Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 807 - 808
• a: 9.055 ± 0.003 Å
• b: 17.601 ± 0.006 Å
• c: 11.817 ± 0.004 Å
• α: 90°
• β: 91.361 ± 0.005°
• γ: 90°
• Cell volume: 1882.8 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0503
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No