Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2241236
Preview
| Coordinates | 2241236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H24 N2 O3 |
|---|---|
| Calculated formula | C12 H24 N2 O3 |
| SMILES | [NH2+](C1CCCCC1)C1CCCCC1.N(=O)(=O)[O-] |
| Title of publication | Crystal structure of dicyclohexylammonium nitrate(V) |
| Authors of publication | Rojek, Tomasz; Matczak-Jon, Ewa |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o878 - o879 |
| a | 8.436 ± 0.002 Å |
| b | 18.682 ± 0.005 Å |
| c | 8.427 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1328.1 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 169831 (current) | 2015-10-29 | cif/ hkl/ Adding structures of 2241236 via cif-deposit CGI script. |
2241236.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.