Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4036724
Preview
| Coordinates | 4036724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H14 N6 |
|---|---|
| Calculated formula | C7 H14 N6 |
| SMILES | N(C)(c1nc(N(C)C)nc(n1)N)C |
| 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 | 7.083 ± 0.0007 Å |
| b | 11.3665 ± 0.0014 Å |
| c | 12.0396 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 969.3 ± 0.19 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| 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 |
|---|---|---|---|
| 235133 (current) | 2019-11-23 | cif/ Adding structures of 4036724 via cif-deposit CGI script. |
4036724.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.