Information card for entry 2205689

Structure parameters

• Formula: C42 H54 N4
• Calculated formula: C42 H54 N4
• SMILES: CCCCN(c1ccc(cc1)/C=C/c1ccnc(c1)c1nccc(c1)/C=C/c1ccc(cc1)N(CCCC)CCCC)CCCC
• Title of publication: 4,4'-Bis(di-<i>n</i>-butylaminostyryl)-2,2'-bipyridine: a space group revision
• Authors of publication: Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1364 - o1366
• a: 11.915 ± 0.003 Å
• b: 12.05 ± 0.004 Å
• c: 13.544 ± 0.002 Å
• α: 105.67 ± 0.02°
• β: 99.141 ± 0.01°
• γ: 93.4 ± 0.02°
• Cell volume: 1837.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2045
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes