Information card for entry 1559445

Structure parameters

• Common name: 1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane
• Formula: C14 H14 N4
• Calculated formula: C14 H14 N4
• SMILES: N#CC1(C#N)C(C#N)(C#N)C(C)(C)C1C=C(C)C
• Title of publication: Structure, Conformation, and Dynamics of 1,1,2,2-Tetracyano-3,3-dimethyl-4-(2',2'-dimethylethenyl)cyclobutane as Detected by X-Ray and Multinuclear NMR Analyses
• Authors of publication: Aksnes, Dagfinn W.; Brekke, Trond; Maartmann-Moe, Knut
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1991
• Journal volume: 45
• Pages of publication: 138 - 144
• a: 7.47 ± 0.002 Å
• b: 11.446 ± 0.002 Å
• c: 30.862 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2638.8 ± 0.9 ų
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No