Information card for entry 2222217

Structure parameters

• Chemical name: 3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxybiphenyl-2,2'-diol
• Formula: C22 H30 O4
• Calculated formula: C22 H30 O4
• SMILES: COc1cc(c(c(c1)c1cc(OC)cc(c1O)C(C)(C)C)O)C(C)(C)C
• Title of publication: 3,3'-Di-<i>tert</i>-butyl-5,5'-dimethoxybiphenyl-2,2'-diol
• Authors of publication: Du, Zhong-Xiang; Wang, Ling-Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1664
• a: 13.4289 ± 0.0008 Å
• b: 13.4289 ± 0.0008 Å
• c: 23.127 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4170.6 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes