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Information card for entry 8106310
Preview
| Coordinates | 8106310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 N2 O3 |
|---|---|
| Calculated formula | C22 H24 N2 O3 |
| Title of publication | Crystal structure of ethyl 4-(3-cyanophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C22H24N2O3 |
| Authors of publication | Song, Ji-Dong; Wang, Li-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 823 - 824 |
| a | 15.333 ± 0.011 Å |
| b | 14.146 ± 0.011 Å |
| c | 17.64 ± 0.013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3826 ± 5 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1042 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279686 (current) | 2022-12-05 | cif/ Adding structures of 8106310 via cif-deposit CGI script. |
8106310.cif |
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Users of the data should acknowledge the original authors of the
structural data.