Information card for entry 2200443

Structure parameters

• Formula: C15 H14 O2 S
• Calculated formula: C15 H14 O2 S
• SMILES: S(c1ccc(cc1)C=O)Cc1ccc(OC)cc1
• Title of publication: 4-[(4-Methoxybenzyl)sulfanyl]benzaldehyde
• Authors of publication: Razzino, Pasquale; Ward, A. David; Tiekink, E. R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o622 - o623
• a: 7.648 ± 0.003 Å
• b: 6.872 ± 0.006 Å
• c: 24.314 ± 0.002 Å
• α: 90°
• β: 93.1 ± 0.02°
• γ: 90°
• Cell volume: 1276 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.104
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes