Information card for entry 2203557

Structure parameters

• Chemical name: 3,5-di-tert-butyl-2-hydroxybenzaldehyde
• Formula: C15 H22 O2
• Calculated formula: C15 H22 O2
• Title of publication: 3,5-Di-<i>tert</i>-butyl-2-hydroxybenzaldehyde
• Authors of publication: Duncan M. Tooke; Anthony L. Spek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: o766 - o767
• a: 11.627 ± 0.001 Å
• b: 10.1214 ± 0.0007 Å
• c: 25.461 ± 0.002 Å
• α: 90°
• β: 111.326 ± 0.003°
• γ: 90°
• Cell volume: 2791.1 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0788
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes