Information card for entry 2210127

Structure parameters

• Chemical name: Ethyl 2-amino-4-(4-fluorophenyl)-4H-benzo[h]chromene-3-carboxylate
• Formula: C22 H18 F N O3
• Calculated formula: C22 H18 F N O3
• SMILES: Fc1ccc(C2C(=C(Oc3c4ccccc4ccc23)N)C(=O)OCC)cc1
• Title of publication: Ethyl 2-amino-4-(4-fluorophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate
• Authors of publication: Tang, Qing-Gang; Ji, Chun-Xiang; Heng, Jing; Zhang, Dong-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4134 - o4135
• a: 12.634 ± 0.003 Å
• b: 16.037 ± 0.003 Å
• c: 8.989 ± 0.0018 Å
• α: 90°
• β: 98.77 ± 0.03°
• γ: 90°
• Cell volume: 1800 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1111
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes