Information card for entry 2202810

Structure parameters

• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O=C(O)c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: 3,5-Di-<i>tert</i>-butyl-2-hydroxybenzoic acid
• Authors of publication: Mizuguchi, Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1530 - o1531
• a: 9.597 ± 0.002 Å
• b: 9.828 ± 0.002 Å
• c: 17.783 ± 0.003 Å
• α: 74.16 ± 0.01°
• β: 78.85 ± 0.01°
• γ: 65.11 ± 0.01°
• Cell volume: 1457.8 ± 0.5 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No