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Information card for entry 2204325
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| Coordinates | 2204325.cif |
|---|---|
| Structure factors | 2204325.hkl |
| Original IUCr paper | HTML |
| Chemical name | 9-Dicyanomethylene-4,5-dinitrofluorene-2,7-disulfonamide |
|---|---|
| Formula | C16 H8 N6 O8 S2 |
| Calculated formula | C16 H8 N6 O8 S2 |
| SMILES | S(=O)(=O)(c1cc(c2c(c1)C(=C(C#N)C#N)c1cc(S(=O)(=O)N)cc(c21)N(=O)=O)N(=O)=O)N |
| Title of publication | 9-Dicyanomethylene-4,5-dinitrofluorene-2,7-disulfonamide |
| Authors of publication | Batsanov, Andrei S.; Perepichka, Igor F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o1892 - o1894 |
| a | 9.574 ± 0.002 Å |
| b | 10.778 ± 0.006 Å |
| c | 17.461 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1801.8 ± 1.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0493 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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