Information card for entry 1570101

Structure parameters

• Formula: C16 H19 N O4 S
• Calculated formula: C16 H19 N O4 S
• Title of publication: Parallel kinetic resolution of aziridines <i>via</i> chiral phosphoric acid-catalyzed apparent hydrolytic ring-opening.
• Authors of publication: Liu, Juan; Du, Yi-Ying; He, Yu-Shi; Liang, Yan; Liu, Shang-Zhong; Li, Yi-Yi; Cao, Yi-Ming
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 12152 - 12159
• a: 7.5487 ± 0.0001 Å
• b: 11.1741 ± 0.0002 Å
• c: 18.1225 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528.63 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0444
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No