Information card for entry 2215854

Structure parameters

• Chemical name: 4-tert-Butyl-2-{[(E)-2,6-diisopropylphenylimino]methyl}-6-(1-phenylethyl)phenol
• Formula: C31 H39 N O
• Calculated formula: C31 H39 N O
• SMILES: CC(c1cc(cc(c1O)/C=N/c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1ccccc1
• Title of publication: 4-<i>tert</i>-Butyl-2-{[(<i>E</i>)-2,6-diisopropylphenylimino]methyl}-6-(1-phenylethyl)phenol
• Authors of publication: Jin Cui; Mingjie Zhang; Jie Zhu; Naijing Cui; Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4400 - o4400
• a: 25.273 ± 0.004 Å
• b: 9.5496 ± 0.0018 Å
• c: 11.115 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2682.6 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes