Information card for entry 2214838

Structure parameters

• Chemical name: 1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''-terphenyl-2'-yl)triazene
• Formula: C44 H43 N3
• Calculated formula: C44 H43 N3
• SMILES: N(N=Nc1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)c1c(cccc1c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: A sterically crowded triazene: 1,3-bis(3,5,3'',5''-tetramethyl-1,1':3';1''-terphenyl-2'-yl)triazene
• Authors of publication: Balireddi, Sreenivas; Niemeyer, Mark
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3525 - o3525
• a: 9.0846 ± 0.0017 Å
• b: 12.0397 ± 0.0018 Å
• c: 17.667 ± 0.002 Å
• α: 76.951 ± 0.009°
• β: 89.617 ± 0.01°
• γ: 75.534 ± 0.012°
• Cell volume: 1820.2 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes