Information card for entry 2205923

Structure parameters

• Chemical name: 4,4'-Dinonyl-2,2'-bipyridine
• Formula: C28 H44 N2
• Calculated formula: C28 H44 N2
• SMILES: CCCCCCCCCc1ccnc(c1)c1nccc(c1)CCCCCCCCC
• Title of publication: 4,4'-Dinonyl-2,2'-bipyridine
• Authors of publication: Fujihara, Takashi; Suzuki, Hajime; Nagasawa, Akira
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1867 - o1868
• a: 5.5952 ± 0.0005 Å
• b: 7.1862 ± 0.0006 Å
• c: 30.882 ± 0.003 Å
• α: 90°
• β: 94.108 ± 0.002°
• γ: 90°
• Cell volume: 1238.52 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes