Information card for entry 2232197

Structure parameters

• Chemical name: (<i>E</i>)-2'-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]- 1,1'-binaphthalen-2-ol methanol monosolvate
• Formula: C36 H39 N O3
• Calculated formula: C36 H39 N O3
• SMILES: c1(ccc2ccccc2c1c1c2ccccc2ccc1/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C)O.CO
• Title of publication: (<i>E</i>)-2'-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]-1,1'-binaphthalen-2-ol methanol monosolvate
• Authors of publication: He, Dian; Li, Chong; Wang, Xiaohong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2914
• a: 8.8396 ± 0.0003 Å
• b: 12.2251 ± 0.0005 Å
• c: 28.3202 ± 0.0011 Å
• α: 90°
• β: 95.018 ± 0.002°
• γ: 90°
• Cell volume: 3048.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1403
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes