Information card for entry 2204325

Structure parameters

• 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 ų
• 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