Information card for entry 2217586

Structure parameters

• Chemical name: 2,6-Di-<i>tert</i>-butyl-4-[(N-methylanilino)methyl]phenol
• Formula: C22 H31 N O
• Calculated formula: C22 H31 N O
• SMILES: CN(c1ccccc1)Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
• Title of publication: 2,6-Di-<i>tert</i>-butyl-4-[(<i>N</i>-methylanilino)methyl]phenol
• Authors of publication: Tao Zeng; Ju-Feng Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o410 - o410
• a: 9.535 ± 0.007 Å
• b: 12.106 ± 0.009 Å
• c: 17.959 ± 0.014 Å
• α: 109.561 ± 0.013°
• β: 92.691 ± 0.013°
• γ: 90.394 ± 0.014°
• Cell volume: 1951 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1136
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes