Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 2014392
2014391 << 2014392 >> 2014393Preview
|
Coordinates |
2014392.cif |
|
Structure factors |
2014392.hkl |
Structure parameters
| Formula | - C14 H10 N2 O6 - |
| Calculated formula | - C14 H10 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 | 20.8531 ± 0.0005 Å |
| b | 20.8531 ± 0.0005 Å |
| c | 6.0377 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2625.5 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 42/n :2 |
| Hall symmetry space group | -P 4bc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |