Information card for entry 1567706

Structure parameters

• Formula: C17 H17 Cl O2
• Calculated formula: C17 H17 Cl O2
• 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: 6.0803 ± 0.0003 Å
• b: 8.5188 ± 0.0004 Å
• c: 13.8407 ± 0.0006 Å
• α: 90°
• β: 90.32 ± 0.002°
• γ: 90°
• Cell volume: 716.89 ± 0.06 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No