Information card for entry 2015772

Structure parameters

• Chemical name: 1-[(5-tert-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol
• Formula: C21 H21 N O2
• Calculated formula: C21 H21 N O2
• SMILES: N(C=C1C(=O)C=Cc2c1cccc2)c1c(O)ccc(c1)C(C)(C)C
• Title of publication: 1-[(5-<i>tert</i>-Butyl-2-hydroxyphenyl)iminomethyl]-2-napthol
• Authors of publication: Sun, Xu-Xia; Qi, Chuan-Min; Huang, Hai-Bo; Ma, Shu-Lan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o87 - o88
• a: 6.1882 ± 0.0006 Å
• b: 15.935 ± 0.0015 Å
• c: 17.2295 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1699 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.039
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes