Information card for entry 2211516

Structure parameters

• Chemical name: 2,6-di-tert-butyl-4-(hydroxymethyl)phenol
• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• Title of publication: 2,6-Di-<i>tert</i>-butyl-4-(hydroxymethyl)phenol
• Authors of publication: Bai, Guo-Yi; Simpson, Jim; Chen, Yong; Li, Jiang-Sheng; Ning, Hui-Sen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5719 - o5721
• a: 18.901 ± 0.005 Å
• b: 6.258 ± 0.0014 Å
• c: 6.267 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 741.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1937
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes