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Information card for entry 8106428
Preview
| Coordinates | 8106428.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H16 N2 |
|---|---|
| Calculated formula | C14 H16 N2 |
| SMILES | N1(c2c3c(ccc2)cccc3N(C1C)C)C |
| Title of publication | Crystal structure of 1,2,3-trimethyl-2,3-dihydro-1H-perimidine, C14H16N2 |
| Authors of publication | Li, Zhong-Yan; Yuan, Xian-You; Yuan, Lin; Zhang, Min |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 49 - 50 |
| a | 32.3 ± 0.003 Å |
| b | 7.2653 ± 0.0006 Å |
| c | 10.4316 ± 0.001 Å |
| α | 90° |
| β | 102.133 ± 0.005° |
| γ | 90° |
| Cell volume | 2393.3 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0607 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1277 |
| Weighted residual factors for all reflections included in the refinement | 0.1411 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280225 (current) | 2023-01-06 | cif/ Adding structures of 8106428 via cif-deposit CGI script. |
8106428.cif |
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