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Information card for entry 2202484
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| Coordinates | 2202484.cif |
|---|---|
| Structure factors | 2202484.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-amino-4-(4-methylphenyl)-4H-benzo[f]chromene-3-carboxylate |
|---|---|
| Formula | C23 H21 N O3 |
| Calculated formula | C23 H21 N O3 |
| SMILES | O1C(=C(C(c2c1ccc1ccccc21)c1ccc(cc1)C)C(=O)OCC)N |
| Title of publication | Ethyl 2-amino-4-(4-methylphenyl)-4<i>H</i>-benzo[<i>f</i>]chromene-3-carboxylate |
| Authors of publication | Daqing Shi; Hui Wu; Xiangshan Wang; Qiya Zhuang; Hongwen Hu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 9 |
| Pages of publication | o1263 - o1264 |
| a | 9.394 ± 0.002 Å |
| b | 9.396 ± 0.001 Å |
| c | 11.005 ± 0.002 Å |
| α | 94.98 ± 0.01° |
| β | 98.3 ± 0.01° |
| γ | 102.95 ± 0.01° |
| Cell volume | 929.6 ± 0.3 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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