Information card for entry 2221569

Structure parameters

• Chemical name: Ethyl 3-amino-1-phenyl-1<i>H</i>-benzo[<i>f</i>]chromene-2-carboxylate
• Formula: C22 H19 N O3
• Calculated formula: C22 H19 N O3
• SMILES: O1c2c(C(c3ccccc3)C(=C1N)C(=O)OCC)c1ccccc1cc2
• Title of publication: Ethyl 3-amino-1-phenyl-1<i>H</i>-benzo[<i>f</i>]chromene-2-carboxylate
• Authors of publication: Jiao, Yuan-Hong; Zhang, Qian; Meng, Fa-Yan; Teng, Lei; Yuan, Jia; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o775
• a: 13.7835 ± 0.0005 Å
• b: 14.646 ± 0.0004 Å
• c: 8.8713 ± 0.0002 Å
• α: 90°
• β: 99.551 ± 0.001°
• γ: 90°
• Cell volume: 1766.05 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes