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Information card for entry 4036717
Preview
| Coordinates | 4036717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H8 N6 |
|---|---|
| Calculated formula | C4 H8 N6 |
| SMILES | n1c(nc(nc1N)NC)N |
| Title of publication | N-Methylmelamines: Synthesis, Characterization, and Physical Properties. |
| Authors of publication | List, Manuela; Puchinger, Helmut; Gabriel, Herbert; Monkowius, Uwe; Schwarzinger, Clemens |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2016 |
| Journal volume | 81 |
| Journal issue | 10 |
| Pages of publication | 4066 - 4075 |
| a | 7.2421 ± 0.0016 Å |
| b | 7.249 ± 0.0016 Å |
| c | 12.642 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 663.7 ± 0.3 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235126 (current) | 2019-11-23 | cif/ Adding structures of 4036717 via cif-deposit CGI script. |
4036717.cif |
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Users of the data should acknowledge the original authors of the
structural data.