Information card for entry 2210176

Structure parameters

• Chemical name: Methyl 2-amino-4-(2',6'-difluorophenyl)-4H-naphtho[1,2-b]chromene-3-carboxylate
• Formula: C21 H15 F2 N O3
• Calculated formula: C21 H15 F2 N O3
• SMILES: Fc1c(C2c3c4ccccc4ccc3OC(=C2C(=O)OC)N)c(F)ccc1
• Title of publication: Methyl 2-amino-4-(2,6-difluorophenyl)-4<i>H</i>-naphtho[1,2-<i>b</i>]chromene-3-carboxylate
• Authors of publication: Guo, Cheng; Tang, Qing-Gang; Wu, Wen-Yuan; Zhang, Dong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4098 - o4099
• a: 13.93 ± 0.003 Å
• b: 13.499 ± 0.003 Å
• c: 8.904 ± 0.0018 Å
• α: 90°
• β: 96.95 ± 0.03°
• γ: 90°
• Cell volume: 1662 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1764
• Weighted residual factors for all reflections included in the refinement: 0.1843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No