Information card for entry 2208263

Structure parameters

• Chemical name: Ethyl 9-dicyanomethylene-2,5,7-trinitrofluorene-4-carboxylate
• Formula: C19 H9 N5 O8
• Calculated formula: C19 H9 N5 O8
• SMILES: O=N(=O)c1=cc(N(=O)=O)c2c(c1)C(=C(C#N)C#N)c1cc(cc(c21)C(=O)OCC)N(=O)=O
• Title of publication: Ethyl 9-dicyanomethylene-2,5,7-trinitrofluorene-4-carboxylate
• Authors of publication: Batsanov, Andrei S.; Perepichka, Igor F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o885 - o887
• a: 19.481 ± 0.002 Å
• b: 8.62 ± 0.001 Å
• c: 10.814 ± 0.001 Å
• α: 90°
• β: 99.4 ± 0.01°
• γ: 90°
• Cell volume: 1791.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1653
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes