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Information card for entry 2100139
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| Coordinates | 2100139.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N''-cyano-N,N-diisopropylguanidine |
|---|---|
| Formula | C8 H16 N4 |
| Calculated formula | C8 H16 N4 |
| Title of publication | A helical structure with <i>Z</i>' = 10 |
| Authors of publication | Hao, Xiang; Chen, Jing; Cammers, Arthur; Parkin, Sean; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 2 |
| Pages of publication | 218 - 226 |
| a | 20.247 ± 0.002 Å |
| b | 18.212 ± 0.002 Å |
| c | 27.665 ± 0.003 Å |
| α | 90° |
| β | 102.94 ± 0.01° |
| γ | 90° |
| Cell volume | 9942.1 ± 1.9 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.101 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1112 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.