Information card for entry 7121617

Structure parameters

• Formula: C24 H25 N O3 S
• Calculated formula: C24 H25 N O3 S
• Title of publication: Enantioselective nickel-catalyzed arylative intramolecular 1,4-allylations.
• Authors of publication: Nguyen, Thi Le Nhon; Incerti-Pradillos, Celia A; Lewis, William; Lam, Hon Wai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 44
• Pages of publication: 5622 - 5625
• a: 8.3029 ± 0.0003 Å
• b: 10.9797 ± 0.0003 Å
• c: 12.3088 ± 0.0003 Å
• α: 77.695 ± 0.003°
• β: 82.174 ± 0.002°
• γ: 84.301 ± 0.003°
• Cell volume: 1083.25 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No