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Information card for entry 2241198
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| Coordinates | 2241198.cif |
|---|---|
| Structure factors | 2241198.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4,6-Tris(cyclohexyloxy)-1,3,5-triazine |
|---|---|
| Formula | C21 H33 N3 O3 |
| Calculated formula | C21 H33 N3 O3 |
| SMILES | c1(nc(nc(n1)OC1CCCCC1)OC1CCCCC1)OC1CCCCC1 |
| Title of publication | Crystal structure of 2,4,6-tris(cyclohexyloxy)-1,3,5-triazine |
| Authors of publication | Sankolli, Ravish; Hauser, Jürg; Row, T. N. Guru; Hulliger, Jürg |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | 1328 - 1331 |
| a | 9.702 ± 0.0002 Å |
| b | 10.1456 ± 0.0003 Å |
| c | 11.2064 ± 0.0003 Å |
| α | 96.528 ± 0.002° |
| β | 95.982 ± 0.002° |
| γ | 112.11 ± 0.002° |
| Cell volume | 1002.3 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0578 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1362 |
| Weighted residual factors for all reflections included in the refinement | 0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181912 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/11. |
2241198.cif 2241198.hkl |
| 167925 | 2015-10-14 | cif/ hkl/ Adding structures of 2241198 via cif-deposit CGI script. |
2241198.cif 2241198.hkl |
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.