Information card for entry 1571654

Structure parameters

• Formula: C48 H62 N2 O10 S2
• Calculated formula: C48 H62 N2 O10 S2
• Title of publication: Copper/ruthenium relay catalysis enables 1,6-double chiral inductions with stereodivergence
• Authors of publication: Yang, Hao-Ran; Cheng, Xiang; Chang, Xin; Wang, Zuo-Fei; Dong, Xiu-Qin; Wang, Chun-Jiang
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 10135 - 10145
• a: 18.8686 ± 0.0002 Å
• b: 5.4367 ± 0.0001 Å
• c: 22.9849 ± 0.0002 Å
• α: 90°
• β: 94.932 ± 0.001°
• γ: 90°
• Cell volume: 2349.13 ± 0.05 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No