Information card for entry 2228175

Structure parameters

• Chemical name: 5-<i>tert</i>-Butyl-2-hydroxy-3-(2-thienyl)benzaldehyde
• Formula: C15 H16 O2 S
• Calculated formula: C15 H16 O2 S
• SMILES: s1c(c2cc(cc(c2O)C=O)C(C)(C)C)ccc1
• Title of publication: 5-<i>tert</i>-Butyl-2-hydroxy-3-(2-thienyl)benzaldehyde
• Authors of publication: Wang, Yanwei; Qiu, Zhenzhen; Liang, Hongze
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2218
• a: 7.2016 ± 0.0014 Å
• b: 8.9375 ± 0.0018 Å
• c: 10.922 ± 0.002 Å
• α: 91.5 ± 0.03°
• β: 107.69 ± 0.03°
• γ: 93.25 ± 0.03°
• Cell volume: 668 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes