Information card for entry 2203831

Structure parameters

• Chemical name: 3,5-Di-tert-butyl-2-hydroxybenzaldehyde
• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• SMILES: O=Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: 3,5-Di-<i>tert</i>-butyl-2-hydroxybenzaldehyde
• Authors of publication: Chu, Zhao-Lian; Huang, Wei; Cui, Kai; Gou Shao-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1043 - o1045
• a: 11.82 ± 0.003 Å
• b: 10.175 ± 0.003 Å
• c: 24.169 ± 0.007 Å
• α: 90°
• β: 96.512 ± 0.004°
• γ: 90°
• Cell volume: 2888 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes