Information card for entry 8106305

Structure parameters

• Formula: C22 H19 N O7
• Calculated formula: C22 H19 N O7
• SMILES: NC1=C(C(=O)OCC)C(c2c(O1)c1c(oc2=O)cccc1)c1ccc(OC)c(O)c1
• Title of publication: Crystal structure of ethyl 2-amino-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-4H,5H-pyrano[3,2-c]chromene-3-carboxylate, C22H19NO7
• Authors of publication: Wang, Ning; Liu, Yu-Hang; Liu, Da-Wei; 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: 813 - 814
• a: 9.292 ± 0.005 Å
• b: 13.23 ± 0.003 Å
• c: 17.115 ± 0.004 Å
• α: 90°
• β: 106.04 ± 0.05°
• γ: 90°
• Cell volume: 2022.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0675
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No