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CIF Information Card
Information card for 2014390
2014389 << 2014390 >> 2014391Preview
|
Coordinates |
2014390.cif |
|
Structure factors |
2014390.hkl |
Structure parameters
| Formula | - C8 H6 N2 O6 - |
| Calculated formula | - C8 H6 N2 O6 - |
| Title of publication | Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120K |
| Authors of publication | Vasconcelos, Thatyana R. A.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Low, John N.; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2006 |
| Journal volume | 62 |
| Pages of publication | o26 - o29 |
| a | 4.5664 ± 0.0004 Å |
| b | 18.727 ± 0.002 Å |
| c | 10.8416 ± 0.001 Å |
| α | 90° |
| β | 101.787 ± 0.006° |
| γ | 90° |
| Cell volume | 907.57 ± 0.15 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |