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Information card for entry 8105532
Preview
| Coordinates | 8105532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H29 N O3 |
|---|---|
| Calculated formula | C23 H29 N O3 |
| Title of publication | Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3 |
| Authors of publication | Li, Da; Zhou, Yan; Zhao, Li; Zhang, Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 35 - 36 |
| a | 9.531 ± 0.005 Å |
| b | 19.245 ± 0.011 Å |
| c | 11.902 ± 0.007 Å |
| α | 90° |
| β | 107.003 ± 0.01° |
| γ | 90° |
| Cell volume | 2088 ± 2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 all reflections | 0.0959 |
| Residual factor for significantly intense reflections | 0.0525 |
| Weighted residual factors for significantly intense reflections | 0.1341 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276284 (current) | 2022-06-27 | cif/ Adding structures of 8105532 via cif-deposit CGI script. |
8105532.cif |
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Users of the data should acknowledge the original authors of the
structural data.