Information card for entry 2229185

Structure parameters

• Chemical name: {4-[5-(4-<i>tert</i>-Butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol
• Formula: C19 H20 N2 O2
• Calculated formula: C19 H20 N2 O2
• SMILES: OCc1ccc(cc1)c1oc(nn1)c1ccc(cc1)C(C)(C)C
• Title of publication: {4-[5-(4-<i>tert</i>-Butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}methanol
• Authors of publication: Zhao, Yu-Ling; Lv, Zhe; Tian, Bin; Hou, Zhe; Geng, Zhong-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o251
• a: 16.3958 ± 0.0018 Å
• b: 6.0654 ± 0.0007 Å
• c: 16.7206 ± 0.0019 Å
• α: 90°
• β: 102.289 ± 0.002°
• γ: 90°
• Cell volume: 1624.7 ± 0.3 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 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: 0.0955
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes