Information card for entry 7160831

Structure parameters

• Formula: C21 H23 Cl N2 O4 S
• Calculated formula: C21 H23 Cl N2 O4 S
• Title of publication: Enantioselective access to quaternary stereocenters of pyrrolidines <i>via</i> Rh-catalyzed intramolecular cyclization of 1,6-enynes.
• Authors of publication: Hao, Runqi; Hou, Fei; Liu, Liqin; Wang, Rao; Tao, Yuan; Jia, Zhenhua; Chen, Fen-Er
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 44
• Pages of publication: 10062 - 10066
• a: 8.7379 ± 0.0009 Å
• b: 9.8928 ± 0.0011 Å
• c: 25.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2204.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No