Information card for entry 7205532

Structure parameters

• Common name: 6,cyano-4,nitrobenzofuroxane
• Chemical name: 6,cyano-4,nitrobenzofuroxane
• Formula: C7 H2 N4 O4
• Calculated formula: C7 H2 N4 O4
• SMILES: c12cc(C#N)cc(c2non1=O)N(=O)=O
• Title of publication: Electrochemical and spectrophotometrical investigation of the electron-accepting strength of organic superelectrophiles: X-ray structure of their charge transfer complexes with tetrathiafulvalene.
• Authors of publication: Berionni, Guillaume; Gonçalves, Anne-Marie; Mathieu, Charles; Devic, Thomas; Etchéberry, Arnaud; Goumont, Régis
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2857 - 2869
• a: 9.8632 ± 0.0019 Å
• b: 8.1924 ± 0.0016 Å
• c: 10.8 ± 0.002 Å
• α: 90°
• β: 111.484 ± 0.004°
• γ: 90°
• Cell volume: 812 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0688
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No