Information card for entry 2222559

Structure parameters

• Chemical name: 4,4'-Di-<i>tert</i>-butyl-2,2'-bipyridine
• Formula: C18 H24 N2
• Calculated formula: C18 H24 N2
• SMILES: n1ccc(cc1c1nccc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: 4,4'-Di-<i>tert</i>-butyl-2,2'-bipyridine
• Authors of publication: Amarante, Tatiana R.; Figueiredo, Sónia; Lopes, André D.; Gonçalves, Isabel S.; Almeida Paz, Filipe A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2047
• a: 10.241 ± 0.005 Å
• b: 6.228 ± 0.003 Å
• c: 24.559 ± 0.01 Å
• α: 90°
• β: 99.75 ± 0.03°
• γ: 90°
• Cell volume: 1543.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.0798
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes