Information card for entry 2205245

Structure parameters

• Chemical name: 3-[(2,6-Diisopropylphenyl)iminomethyl]-2-naphthol
• Formula: C23 H25 N O
• Calculated formula: C23 H25 N O
• SMILES: CC(c1cccc(c1/N=C/c1c(O)ccc2c1cccc2)C(C)C)C
• Title of publication: 3-{[(2,6-Diisopropylphenyl)imino]methyl}-2-naphthol
• Authors of publication: Lin, Jin; Cui, Guang-Hua; Li, Jian-Rong; Xu, Shan-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o627 - o628
• a: 9.3365 ± 0.0011 Å
• b: 22.824 ± 0.005 Å
• c: 9.3508 ± 0.0012 Å
• α: 90°
• β: 98.629 ± 0.008°
• γ: 90°
• Cell volume: 1970.1 ± 0.6 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: 0.1176
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes