Information card for entry 2202804

Structure parameters

• Chemical name: 2-amino-4-(2-chlorophenyl)-3-ethoxycarbonyl-4H-benzo[f]chromene
• Formula: C22 H18 Cl N O3
• Calculated formula: C22 H18 Cl N O3
• SMILES: Clc1c(C2C(=C(Oc3c2c2c(cc3)cccc2)N)C(=O)OCC)cccc1
• Title of publication: 2-Amino-4-(2-chlorophenyl)-3-ethoxycarbonyl-4<i>H</i>-benzo[<i>f</i>]chromene
• Authors of publication: Qiya Zhuang; Daqing Shi; Xiangshan Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1474 - o1475
• a: 13.491 ± 0.004 Å
• b: 13.375 ± 0.004 Å
• c: 9.903 ± 0.003 Å
• α: 90°
• β: 93.51 ± 0.02°
• γ: 90°
• Cell volume: 1783.6 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes