Information card for entry 2208657

Structure parameters

• Chemical name: 2,6-di-tert-butyl-4-(phenyliminomethyl)phenol
• Formula: C21 H27 N O
• Calculated formula: C21 H27 N O
• SMILES: Oc1c(cc(cc1C(C)(C)C)/C=N/c1ccccc1)C(C)(C)C
• Title of publication: 2,6-Di-<i>tert</i>-butyl-4-(phenyliminomethyl)phenol
• Authors of publication: Yan, Xi-Long; Chen, Li-Gong; Zeng, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1455 - o1456
• a: 14.592 ± 0.002 Å
• b: 10.9764 ± 0.0017 Å
• c: 11.925 ± 0.002 Å
• α: 90°
• β: 101.209 ± 0.003°
• γ: 90°
• Cell volume: 1873.6 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0982
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes