Information card for entry 7120187

Structure parameters

• Chemical name: (R)-4,5-bis(4-fluorophenyl)-2-phenyl-1-tosyl-2,3-dihydro-1H-pyrrole
• Formula: C29 H23 F2 N O2 S
• Calculated formula: C29 H23 F2 N O2 S
• SMILES: S(=O)(=O)(N1C(=C(c2ccc(F)cc2)C[C@@H]1c1ccccc1)c1ccc(F)cc1)c1ccc(cc1)C
• Title of publication: Dual Gold/Photoredox-Catalyzed Bis-Arylative Cyclization of Chiral Homopropargyl Sulfonamides with Diazonium Salts: Rapid Access to Enantioenriched 2,3-Dihydropyrroles
• Authors of publication: Wang, Ze-Shu; Tan, Tong-De; Wang, Cai-Ming; Yuan, Ding-Qiang; Zhang, Te; zhu, pengfei; Zhu, Chunyin; Zhou, Jin-Mei; Ye, Long-Wu
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.287 ± 0.002 Å
• b: 10.555 ± 0.002 Å
• c: 12.485 ± 0.003 Å
• α: 90°
• β: 95.78 ± 0.004°
• γ: 90°
• Cell volume: 1217.6 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No