Information card for entry 4518332

Structure parameters

• Formula: C31 H29 N O2 S
• Calculated formula: C31 H29 N O2 S
• Title of publication: Heteroannulation of N-Fluoro-N-alkylsulfonamides with Terminal Alkynes via Remote C(sp3)‒H Functionalization
• Authors of publication: Zhong, Long-Jin; Li, Yang; An, De-Lie; Li, Jin-Heng
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 383 - 389
• a: 13.793 ± 0.002 Å
• b: 18.478 ± 0.003 Å
• c: 20.113 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5126.1 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No