Information card for entry 7132421

Structure parameters

• Formula: C14 H15 Cl3 N2 O4 S
• Calculated formula: C14 H15 Cl3 N2 O4 S
• Title of publication: Chemo- and enantioselective intramolecular silver-catalyzed aziridinations of carbamimidates.
• Authors of publication: Trinh, Tuan Anh; Fu, Yue; Hu, Derek B.; Zappia, Soren A.; Guzei, Ilia A.; Liu, Peng; Schomaker, Jennifer M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 60
• Journal issue: 2
• Pages of publication: 224 - 227
• a: 11.978 ± 0.003 Å
• b: 9.923 ± 0.003 Å
• c: 14.449 ± 0.004 Å
• α: 90°
• β: 96.646 ± 0.013°
• γ: 90°
• Cell volume: 1705.8 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0241
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No