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Information card for entry 8104614
Preview
| Coordinates | 8104614.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H38 Cl0 N2 O4 |
|---|---|
| Calculated formula | C32 H38 N2 O4 |
| Title of publication | Crystal structure of diethyl 6,12-dimethyl-3,9-di-p-tolyl-3,9-diazapentacyclo[6.4.0.02,7.04,11.05,10]dodecane-1,5-dicarboxylate, C32H38N2O4 |
| Authors of publication | Yang, Shuai; Dong, Jin-Ling; Chen, Jin-Ming |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1381 - 1382 |
| a | 6.983 ± 0.005 Å |
| b | 8.472 ± 0.006 Å |
| c | 12.113 ± 0.007 Å |
| α | 88.009 ± 0.011° |
| β | 73.45 ± 0.03° |
| γ | 81.793 ± 0.009° |
| Cell volume | 679.9 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1737 |
| Weighted residual factors for all reflections included in the refinement | 0.1875 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273223 (current) | 2022-03-03 | cif/ Adding structures of 8104614 via cif-deposit CGI script. |
8104614.cif |
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Users of the data should acknowledge the original authors of the
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