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CIF Information Card
Information card for 2012531
2012530 << 2012531 >> 2012532Preview
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Coordinates |
2012531.cif |
|
Structure factors |
2012531.hkl |
Structure parameters
| Common name | trans-4-tert-Butylcyclohexyl Picrate |
| Formula | - C16 H21 N3 O7 - |
| Calculated formula | - C16 H21 N3 O7 - |
| Title of publication | cis- and trans-2-(4-tert-Butylcyclohexyloxy)-1,3,5-trinitrobenzene |
| Authors of publication | Spiniello, Marisa; White, Jonathan M. |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Pages of publication | o94 - o96 |
| a | 14.95 ± 0.003 Å |
| b | 8.349 ± 0.001 Å |
| c | 14.292 ± 0.005 Å |
| α | 90° |
| β | 94.22 ± 0.03° |
| γ | 90° |
| Cell volume | 1779.1 ± 0.7 Å3 |
| Cell temperature | 130 ± 0.2 K |
| Ambient diffraction temperature | 130 ± 0.2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |