Information card for entry 8105601

Structure parameters

• Formula: C19 H19 N O7
• Calculated formula: C19 H19 N O7
• SMILES: NC1=C(C(=O)OCC)C(c2c(O1)cc(oc2=O)C)c1ccc(O)c(OC)c1
• Title of publication: Crystal structure of ethyl 2-amino-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-5-oxo-4H,5H-pyrano-[4,3-b]pyran-3-carboxylate, C19H19NO7
• Authors of publication: Zeng, Xiao-Qiong; Tang, Qin; Xie, Xian-Hong; Feng, Jing; Hu, Juan-Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 235 - 236
• a: 9.14 ± 0.002 Å
• b: 14.233 ± 0.002 Å
• c: 13.846 ± 0.003 Å
• α: 90°
• β: 99.246 ± 0.004°
• γ: 90°
• Cell volume: 1777.8 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No