Information card for entry 7151203

Structure parameters

• Common name: 6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane
• Chemical name: 6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane
• Formula: C25 H22 N2
• Calculated formula: C25 H22 N2
• SMILES: c1(nc(=Cc2ccccc2)cc1)C(C)(c1ccc(=Cc2ccccc2)n1)C
• Title of publication: Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.
• Authors of publication: Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 2247 - 2252
• a: 17.135 ± 0.003 Å
• b: 38.228 ± 0.008 Å
• c: 6.1877 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4053.2 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No