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Information card for entry 8106433
Preview
| Coordinates | 8106433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H19 N O3 |
|---|---|
| Calculated formula | C21 H19 N O3 |
| SMILES | O=C(Cc1c(c([nH]c1c1ccccc1)C)C(=O)OC)c1ccccc1 |
| Title of publication | Crystal structure of methyl-2-methyl-4-(2-oxo-2-phenylethyl)-5-phenyl-1H-pyrrole-3-carboxylate, C21H19NO3 |
| Authors of publication | Naganagowda, Gadada; Mahlaka, Thabo Joel; Meijboom, Reinout |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 63 - 65 |
| a | 10.137 ± 0.002 Å |
| b | 12.3205 ± 0.0018 Å |
| c | 14.7 ± 0.003 Å |
| α | 90° |
| β | 106.432 ± 0.001° |
| γ | 90° |
| Cell volume | 1760.9 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for all reflections included in the refinement | 0.181 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280230 (current) | 2023-01-06 | cif/ Adding structures of 8106433 via cif-deposit CGI script. |
8106433.cif |
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