Information card for entry 2202484

Structure parameters

• Chemical name: Ethyl 2-amino-4-(4-methylphenyl)-4H-benzo[f]chromene-3-carboxylate
• Formula: C23 H21 N O3
• Calculated formula: C23 H21 N O3
• SMILES: O1C(=C(C(c2c1ccc1ccccc21)c1ccc(cc1)C)C(=O)OCC)N
• Title of publication: Ethyl 2-amino-4-(4-methylphenyl)-4<i>H</i>-benzo[<i>f</i>]chromene-3-carboxylate
• Authors of publication: Daqing Shi; Hui Wu; Xiangshan Wang; Qiya Zhuang; Hongwen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1263 - o1264
• a: 9.394 ± 0.002 Å
• b: 9.396 ± 0.001 Å
• c: 11.005 ± 0.002 Å
• α: 94.98 ± 0.01°
• β: 98.3 ± 0.01°
• γ: 102.95 ± 0.01°
• Cell volume: 929.6 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes