Information card for entry 2221250
| Chemical name |
4,4',6,6'-Tetramethyl-2,2'-bipyrimidine hexahydrate |
| Formula |
C12 H26 N4 O6 |
| Calculated formula |
C12 H26 N4 O6 |
| SMILES |
O.O.O.O.O.O.n1c(cc(nc1c1nc(cc(n1)C)C)C)C |
| Title of publication |
4,4',6,6'-Tetramethyl-2,2'-bipyrimidine hexahydrate |
| Authors of publication |
Ma, Yanni; Zhou, Le; Deng, Dongsheng; Ji, Baoming |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2009 |
| Journal volume |
65 |
| Journal issue |
4 |
| Pages of publication |
o848 - o849 |
| a |
6.8622 ± 0.0019 Å |
| b |
11.098 ± 0.003 Å |
| c |
11.75 ± 0.003 Å |
| α |
98.233 ± 0.003° |
| β |
91.774 ± 0.004° |
| γ |
102.599 ± 0.004° |
| Cell volume |
862.5 ± 0.4 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0783 |
| Residual factor for significantly intense reflections |
0.0473 |
| Weighted residual factors for significantly intense reflections |
0.1276 |
| Weighted residual factors for all reflections included in the refinement |
0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.038 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2221250.html
