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Information card for entry 4036725
Preview
| Coordinates | 4036725.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H12 N6 |
|---|---|
| Calculated formula | C6 H12 N6 |
| SMILES | N(C)c1nc(NC)nc(n1)NC |
| 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 | 7.4349 ± 0.0013 Å |
| b | 9.2666 ± 0.0014 Å |
| c | 12.249 ± 0.002 Å |
| α | 90° |
| β | 103.723 ± 0.006° |
| γ | 90° |
| Cell volume | 819.8 ± 0.2 Å3 |
| Cell temperature | 205 ± 2 K |
| Ambient diffraction temperature | 205 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0663 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235135 (current) | 2019-11-23 | cif/ Adding structures of 4036725 via cif-deposit CGI script. |
4036725.cif |
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Users of the data should acknowledge the original authors of the
structural data.