Information card for entry 2218358

Structure parameters

• Chemical name: (<i>E</i>)-4-Methyl-2-[(<i>R</i>)-1-phenylethyliminomethyl]phenol
• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• SMILES: Oc1ccc(cc1/C=N/[C@H](C)c1ccccc1)C
• Title of publication: (<i>E</i>)-4-Methyl-2-[(<i>R</i>)-1-phenylethyliminomethyl]phenol
• Authors of publication: Dang, Fang-Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1065
• a: 20.342 ± 0.008 Å
• b: 5.911 ± 0.002 Å
• c: 14.551 ± 0.005 Å
• α: 90°
• β: 128.585 ± 0.004°
• γ: 90°
• Cell volume: 1367.7 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes