Information card for entry 2001174

Structure parameters

• Chemical name: 2,4,6-tris(tert.-butyl)anilin
• Formula: C18 H31 N
• Calculated formula: C18 H31 N
• Title of publication: Structure of 2,4,6-tri(<i>tert</i>-butyl)aniline at 153 K
• Authors of publication: Pohl, E.; Herbst-Irmer, R.; Köhler, K.; Roesky, H. W.; Sheldrick, G. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 2141 - 2143
• a: 9.221 ± 0.001 Å
• b: 18.157 ± 0.002 Å
• c: 10.318 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1727.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.1662
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No