Information card for entry 7128131

Structure parameters

• Formula: C23 H19 F O S
• Calculated formula: C23 H19 F O S
• Title of publication: Enantioselective nickel-catalyzed <i>anti</i>-arylmetallative cyclizations onto acyclic electron-deficient alkenes.
• Authors of publication: Gillbard, Simone M.; Green, Harley; Argent, Stephen P.; Lam, Hon Wai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 36
• Pages of publication: 4436 - 4439
• a: 8.4023 ± 0.0002 Å
• b: 11.0606 ± 0.0002 Å
• c: 9.9012 ± 0.0002 Å
• α: 90°
• β: 99.589 ± 0.002°
• γ: 90°
• Cell volume: 907.31 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No