Information card for entry 7236204

Structure parameters

• Formula: C23 H22 N2 O2 S2
• Calculated formula: C23 H22 N2 O2 S2
• Title of publication: Quickly FeCl3-catalyzed highly chemo- and stereo-selective [3 + 2] dipolar cycloaddition of aziridines with isothiocyanates
• Authors of publication: Gao, Lingfeng; Fu, Kai; Zheng, Gengxiu
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 53
• Pages of publication: 47192
• a: 14.6904 ± 0.0008 Å
• b: 13.1346 ± 0.0006 Å
• c: 12.3812 ± 0.0006 Å
• α: 90°
• β: 114.424 ± 0.007°
• γ: 90°
• Cell volume: 2175.2 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No