Information card for entry 2210812

Structure parameters

• Chemical name: Methyl 2-amino-4-(2-fluorophenyl)-4H-benzo[h]chromene-3-carboxylate
• Formula: C21 H16 F N O3
• Calculated formula: C21 H16 F N O3
• SMILES: Fc1c(C2c3ccc4ccccc4c3OC(=C2C(=O)OC)N)cccc1
• Title of publication: Methyl 2-amino-4-(2-fluorophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate
• Authors of publication: Guo, Cheng; Tang, Qing-Gang; Ji, Chun-Xiang; Zhang, Dong-Mei; Sun, Hong-Shun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4750 - o4751
• a: 19.137 ± 0.003 Å
• b: 19.137 ± 0.003 Å
• c: 9.417 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3448.7 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes