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Information card for entry 2206817
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| Coordinates | 2206817.cif |
|---|---|
| Structure factors | 2206817.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-amino-4-(2-methoxyphenyl)-4H-benzo[h]chromene-3-carboxylate |
|---|---|
| Formula | C23 H21 N O4 |
| Calculated formula | C23 H21 N O4 |
| SMILES | O(CC)C(=O)C1=C(Oc2c3ccccc3ccc2C1c1ccccc1OC)N |
| Title of publication | Ethyl 2-amino-4-(2-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 | o3104 - o3105 |
| a | 6.996 ± 0.0014 Å |
| b | 10.542 ± 0.002 Å |
| c | 13.522 ± 0.003 Å |
| α | 101.45 ± 0.03° |
| β | 96.33 ± 0.03° |
| γ | 96.82 ± 0.03° |
| Cell volume | 961.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0997 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1574 |
| Weighted residual factors for all reflections included in the refinement | 0.1874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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