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Information card for entry 2007320
Preview
| Coordinates | 2007320.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | N-(2-(N-Oxido-N'-hydroxydiazinyl)-3-methylbutyl)octanamide |
|---|---|
| Formula | C13 H27 N3 O3 |
| Calculated formula | C13 H27 N3 O3 |
| SMILES | CC(C(CNC(=O)CCCCCCC)N(=NO)=O)C |
| Title of publication | <i>N</i>-[2-(<i>N</i>'-Hydroxy-<i>N</i>-oxidodiaziniumyl)-3-methylbutyl]octanamide |
| Authors of publication | Chang, Rakwoo; Shin, Whanchul |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 6 |
| Pages of publication | 827 - 829 |
| a | 14.669 ± 0.007 Å |
| b | 10.722 ± 0.008 Å |
| c | 10.802 ± 0.006 Å |
| α | 90° |
| β | 99.55 ± 0.08° |
| γ | 90° |
| Cell volume | 1675.4 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.111 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections | 0.198 |
| Weighted residual factors for significantly intense reflections | 0.159 |
| Goodness-of-fit parameter for all reflections | 1.028 |
| Goodness-of-fit parameter for significantly intense reflections | 1.083 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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