Information card for entry 2222061

Structure parameters

• Chemical name: (<i>E</i>)-2-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]benzonitrile
• Formula: C22 H26 N2 O
• Calculated formula: C22 H26 N2 O
• SMILES: N#Cc1ccccc1/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: (<i>E</i>)-2-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]benzonitrile
• Authors of publication: Zhou, Jian-Cheng; Li, Nai-Xu; Zhang, Chuan-Ming; Zhang, Zheng-Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1416
• a: 27.971 ± 0.0004 Å
• b: 7.3278 ± 0.00011 Å
• c: 29.784 ± 0.0004 Å
• α: 90°
• β: 104.533 ± 0.0002°
• γ: 90°
• Cell volume: 5909.37 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.1383
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 0.812
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes