Information card for entry 2206816

Structure parameters

• Chemical name: Ethyl 2-amino-4-(4-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate
• Formula: C23 H21 N O4
• Calculated formula: C23 H21 N O4
• SMILES: O(C)c1ccc(cc1)C1c2ccc3ccccc3c2OC(=C1C(=O)OCC)N
• Title of publication: Ethyl 2-amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate
• Authors of publication: Guo, Cheng; Gu, Xi-feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o3101 - o3103
• a: 12.06 ± 0.002 Å
• b: 18.511 ± 0.004 Å
• c: 8.936 ± 0.0018 Å
• α: 90°
• β: 102.99 ± 0.03°
• γ: 90°
• Cell volume: 1943.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1261
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes