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Information card for entry 2006497
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| Coordinates | 2006497.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4,4-dimethyl-5-iodo-2-oxazineone |
|---|---|
| Formula | C6 H10 I N O2 |
| Calculated formula | C6 H9 I N O2 |
| SMILES | IC1COC(=O)NC1(C)C |
| Title of publication | Intermediates for the Convenient Synthesis of Bicyclic Aziridinocarbamates |
| Authors of publication | Mague, Joel T.; Ensley, Harry E.; Ling, Jing |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1347 - 1350 |
| a | 6.686 ± 0.003 Å |
| b | 11.304 ± 0.009 Å |
| c | 6.399 ± 0.002 Å |
| α | 95.46 ± 0.04° |
| β | 113.56 ± 0.03° |
| γ | 83.54 ± 0.05° |
| Cell volume | 439.8 ± 0.4 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.08 |
| Residual factor for significantly intense reflections | 0.064 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Goodness-of-fit parameter for significantly intense reflections | 2.216 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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