Information card for entry 7161049

Structure parameters

• Formula: C24 H22 N2 O5 S
• Calculated formula: C24 H22 N2 O5 S
• Title of publication: Transaminase-Triggered Synthesis of 2,5-Disubstituted Pyrrolidines
• Authors of publication: Martin , Aoife; Kennedy, Lisa; Solanki, Ishita; Fleming , Patricia; Bruno-Colmenarez, Julia; Evans, Paul; Haarr, Marianne Bore; O'Reilly, Elaine
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 7.6307 ± 0.0001 Å
• b: 15.0624 ± 0.0002 Å
• c: 18.5993 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2137.74 ± 0.05 ų
• Cell temperature: 122 ± 20 K
• Ambient diffraction temperature: 122 ± 20 K
• Number of distinct elements: 5
• 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: 0.0414
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No