Information card for entry 1567707

Structure parameters

• Formula: C19 H20 O2 S
• Calculated formula: C19 H20 O2 S
• Title of publication: Chiral Lewis acid catalysis in a visible light-triggered cycloaddition/rearrangement cascade
• Authors of publication: Stegbauer, Simone; Jandl, Christian; Bach, Thorsten
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 6.4656 ± 0.0002 Å
• b: 13.7036 ± 0.0005 Å
• c: 17.0877 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1514 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No