Information card for entry 7135335

Structure parameters

• Formula: C24 H23 N3 O3 S
• Calculated formula: C24 H23 N3 O3 S
• Title of publication: Enantioselective Synthesis of N-Arylpyrrole Aldehydes via NHC-Organocatalytic Atroposelective Desymmetrization Followed by Kinetic Resolution
• Authors of publication: Hu, Chunyang; Liu, Zuquan; Li, Chenxing; Feng, Jianquan; Zhu, Yiwei; Du, Ding
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 35.6279 ± 0.0017 Å
• b: 7.9727 ± 0.0004 Å
• c: 15.4012 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4374.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1444
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No