Information card for entry 1570176

Structure parameters

• Formula: C24 H20 F2 O4 S2
• Calculated formula: C24 H20 F2 O4 S2
• Title of publication: Nickel-catalysed asymmetric hydromonofluoromethylation of 1,3-enynes for enantioselective construction of monofluoromethyl-tethered chiral allenes.
• Authors of publication: Zhang, Ying; Yang, Jimin; Ruan, Yu-Long; Liao, Ling; Ma, Chuang; Xue, Xiao-Song; Yu, Jin-Sheng
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 12676 - 12683
• a: 9.1305 ± 0.0002 Å
• b: 10.8099 ± 0.0001 Å
• c: 23.076 ± 0.0003 Å
• α: 90°
• β: 97.439 ± 0.001°
• γ: 90°
• Cell volume: 2258.43 ± 0.06 ų
• Cell temperature: 297.96 ± 0.14 K
• Ambient diffraction temperature: 297.96 ± 0.14 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: 0.0397
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No