Information card for entry 2238608

Structure parameters

• Common name: 4,6-Di-<i>tert</i>-butyl-2,3-dihydroxybenzaldehyde
• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O=Cc1c(O)c(O)c(cc1C(C)(C)C)C(C)(C)C
• Title of publication: 4,6-Di-<i>tert</i>-butyl-2,3-dihydroxybenzaldehyde
• Authors of publication: Arsenyev, Max; Baranov, Eugene; Chesnokov, Sergey; Abakumov, Gleb
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: o1565
• a: 9.3113 ± 0.0009 Å
• b: 10.6511 ± 0.001 Å
• c: 15.3962 ± 0.0015 Å
• α: 95.242 ± 0.002°
• β: 103.085 ± 0.002°
• γ: 95.492 ± 0.002°
• Cell volume: 1470.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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 all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No