Information card for entry 7151202

Structure parameters

• Common name: 6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)
• Chemical name: 6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)
• Formula: C30 H32 N2
• Calculated formula: C30 H32 N2
• SMILES: c1(c(c(c(=Cc2ccccc2)n1)CC)CC)c1c(c(c(=Cc2ccccc2)n1)CC)CC
• 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: 14.883 ± 0.004 Å
• b: 7.83 ± 0.002 Å
• c: 20.587 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399.1 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No