Information card for entry 2207765

Structure parameters

• Chemical name: Ethyl 2-amino-4-phenyl-4H-benzo[h]chromene-3-carboxylate
• Formula: C22 H19 N O3
• Calculated formula: C22 H19 N O3
• SMILES: O(CC)C(=O)C1=C(Oc2c(C1c1ccccc1)ccc1ccccc21)N
• Title of publication: Ethyl 2-amino-4-phenyl-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate
• Authors of publication: Tang, Shi-Gui; Gu, Xi-Feng; Wei, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o136 - o137
• a: 12.178 ± 0.002 Å
• b: 8.995 ± 0.0018 Å
• c: 17.085 ± 0.003 Å
• α: 90°
• β: 110.03 ± 0.03°
• γ: 90°
• Cell volume: 1758.3 ± 0.6 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: 0.1604
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes