Information card for entry 2235109

Structure parameters

• Chemical name: Ethyl 2-amino-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>- benzo[<i>h</i>]chromene-3-carboxylate
• Formula: C23 H20 F N O4
• Calculated formula: C23 H20 F N O4
• SMILES: Fc1ccc(C2C(=C(Oc3c2cc(OC)c2c3cccc2)N)C(=O)OCC)cc1
• Title of publication: Ethyl 2-amino-4-(4-fluorophenyl)-6-methoxy-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate
• Authors of publication: El-Agrody, Ahmed M.; Al-Omar, Mohamed A.; Amr, Abdel-Galil E.; Chia, Tze Shyang; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1803 - o1804
• a: 12.6844 ± 0.0003 Å
• b: 16.1933 ± 0.0004 Å
• c: 9.4579 ± 0.0002 Å
• α: 90°
• β: 94.288 ± 0.002°
• γ: 90°
• Cell volume: 1937.24 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0464
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes