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Information card for entry 8106593
Preview
| Coordinates | 8106593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 N2 O5 |
|---|---|
| Calculated formula | C20 H28 N2 O5 |
| Title of publication | Crystal structure of methyl 2,7,7-trimethyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C20H22N2O5 |
| Authors of publication | Meng, Jing; Zhou, Hai-Yu; Sui, Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 4 |
| Pages of publication | 527 - 528 |
| a | 16.624 ± 0.006 Å |
| b | 16.624 ± 0.006 Å |
| c | 14.385 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3975 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 114 |
| Hermann-Mauguin space group symbol | P -4 21 c |
| Hall space group symbol | P -4 2n |
| Residual factor for all reflections | 0.0976 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1886 |
| Weighted residual factors for all reflections included in the refinement | 0.2119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280600 (current) | 2023-01-25 | cif/ Adding structures of 8106593 via cif-deposit CGI script. |
8106593.cif |
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Users of the data should acknowledge the original authors of the
structural data.