Information card for entry 1545586

Structure parameters

• Chemical name: 4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol
• Formula: C23 H32 N2 O
• Calculated formula: C23 H32 N2 O
• SMILES: Oc1c(/C=N/c2ccc(N(C)C)cc2)cc(cc1C(C)(C)C)C(C)(C)C
• Title of publication: 4,6-Di-<i>tert</i>-butyl-2-{(<i>E</i>)-[4-(dimethylamino)phenylimino]methyl}phenol
• Authors of publication: Rani, C. Vidya; Mitu, L.; Chakkaravarthi, G.; Rajagopal, G.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170396
• a: 22.8029 ± 0.0015 Å
• b: 9.9908 ± 0.0007 Å
• c: 9.3304 ± 0.0006 Å
• α: 90°
• β: 90.247 ± 0.002°
• γ: 90°
• Cell volume: 2125.6 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1077
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes