Information card for entry 2240525

Structure parameters

• Common name: 2,3-Bis[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butane
• Chemical name: 4-<i>tert</i>-Butyl-<i>N</i>-{3-[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butan-2-ylidene}-2,6-dimethylaniline
• Formula: C28 H40 N2
• Calculated formula: C28 H40 N2
• SMILES: c1(c(cc(cc1C)C(C)(C)C)C)/N=C(\C)/C(=N/c1c(cc(cc1C)C(C)(C)C)C)C
• Title of publication: Crystal structure of 2,3-bis[(4-<i>tert</i>-butyl-2,6-dimethylphenyl)imino]butane
• Authors of publication: Zhao, Sheng-Lan; Yuan, Jian-Chao; Zhao, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: o258
• a: 5.993 ± 0.006 Å
• b: 10.064 ± 0.009 Å
• c: 11.614 ± 0.011 Å
• α: 107.913 ± 0.009°
• β: 100.484 ± 0.01°
• γ: 99.26 ± 0.009°
• Cell volume: 637.5 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1535
• Residual factor for significantly intense reflections: 0.1024
• Weighted residual factors for significantly intense reflections: 0.2008
• Weighted residual factors for all reflections included in the refinement: 0.2204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes