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Information card for entry 8100854
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| Coordinates | 8100854.cif |
|---|
| Formula | C8 H13 Br2 N O4 |
|---|---|
| Calculated formula | C8 H13 Br2 N O4 |
| SMILES | BrC[C@](Br)(C1OCC(CO1)(C)N(=O)=O)C |
| Title of publication | Crystal structure of 2α-(1,2-dibromoisopropyl)-5α-nitro- 5β-methyl-1,3-dioxane, C~8~H~13~NO~4~Br~2~ |
| Authors of publication | Crisma, M.; Possenti, M.; Lazzari, D.; Soverini, M.; De Lucchi, O. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 1 |
| Pages of publication | 103 - 104 |
| a | 6.279 ± 0.002 Å |
| b | 9.308 ± 0.003 Å |
| c | 10.219 ± 0.003 Å |
| α | 90° |
| β | 90 ± 0.05° |
| γ | 90° |
| Cell volume | 597.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.