Information card for entry 1559703

Structure parameters

• Chemical name: 2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol
• Formula: C42 H37 N O2
• Calculated formula: C42 H37 N O2
• SMILES: OC([C@@H](/N=C/c1c(O)c(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C)Cc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 2-({[(2<i>S</i>)-1-Hydroxy-1,1,3-triphenylpropan-2-yl]imino}methyl)-4,6-bis(4-methylphenyl)phenol
• Authors of publication: Show, Veronica L.; Fok, Emily Y.; Johnson, Adam R.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 12
• Pages of publication: x201576
• a: 9.2554 ± 0.0003 Å
• b: 11.5721 ± 0.0004 Å
• c: 31.9214 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3418.92 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0973
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes