Information card for entry 2206315

Structure parameters

• Chemical name: Ethyl 2-amino-4-(3-fluorophenyl)-4H-benzo[h]chromene-3-carboxylate
• Formula: C22 H18 F N O3
• Calculated formula: C22 H18 F N O3
• SMILES: Fc1cc(C2C(=C(Oc3c2ccc2ccccc32)N)C(=O)OCC)ccc1
• Title of publication: Ethyl 2-amino-4-(3-fluorophenyl)-4<i>H</i>-benzo[<i>h</i>]chromene-3-carboxylate
• Authors of publication: Guo, Cheng; Gu, Xi-Feng; Zhang, Lian-Di; Li, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2125 - o2127
• a: 9.069 ± 0.002 Å
• b: 6.136 ± 0.001 Å
• c: 32.537 ± 0.007 Å
• α: 90°
• β: 96.87 ± 0.03°
• γ: 90°
• Cell volume: 1797.6 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1867
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2261
• Weighted residual factors for all reflections included in the refinement: 0.2894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes