Information card for entry 7130513

Structure parameters

• Formula: C138 H120 F6 N6 O18 S6
• Calculated formula: C138 H120 F6 N6 O18 S6
• Title of publication: Asymmetric organocatalytic sulfenylation for the construction of a diheteroatom-bearing tetrasubstituted carbon centre
• Authors of publication: Tan, Qingfa; Chen, Qianping; Zhu, Zitong; Liu, Xiaohua
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 18.3227 ± 0.0008 Å
• b: 6.1273 ± 0.0003 Å
• c: 54.463 ± 0.002 Å
• α: 90°
• β: 92.615 ± 0.002°
• γ: 90°
• Cell volume: 6108.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1171
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No