Information card for entry 7239261

Structure parameters

• Formula: C18 H21 N O3 S2
• Calculated formula: C18 H21 N O3 S2
• Title of publication: Stereoselective synthesis of C-sulfonylated aziridines from halomethyl phenyl sulfone and N-tert-butanesulfinyl imines
• Authors of publication: Li, Ya; Huang, Haiji; Wang, Zhen; Yang, Fan; Li, Desheng; Qin, Bo; Ren, Xinfeng
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 969
• a: 6.4368 ± 0.0004 Å
• b: 14.3488 ± 0.0009 Å
• c: 20.3824 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1882.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.039
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No