Information card for entry 2204409

Structure parameters

• Chemical name: Ethyl 9-amino-7-(p-tolyl)-7H-pyrano[3,2-c]coumarin-8-carboxylate
• Formula: C22 H19 N O5
• Calculated formula: C22 H19 N O5
• Title of publication: Ethyl 2-amino-5-oxo-4-(<i>p</i>-tolyl)-4<i>H</i>,5<i>H</i>-pyrano[3,2-<i>c</i>]chromene-8-carboxylate
• Authors of publication: Jing Wang; Daqing Shi; Xiangshan Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1725 - o1727
• a: 15.239 ± 0.002 Å
• b: 7.85 ± 0.001 Å
• c: 15.846 ± 0.003 Å
• α: 90°
• β: 101 ± 0.01°
• γ: 90°
• Cell volume: 1860.8 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes