Information card for entry 1574284

Structure parameters

• Formula: C72 H106 F12 N6 Ni O15 S4
• Calculated formula: C72 H106 F12 N6 Ni O15 S4
• Title of publication: Catalytic asymmetric construction of 1,5-remote Si- and C-stereocenters via desymmetrizing ene reaction of bis(methallyl)silanes
• Authors of publication: Cao, Qiuhui; Yang, Yuntian; Mei, Yiwen; Ji, Minghui; Wang, Fei; Feng, Xiaoming; Cao, Weidi
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 8454 - 8459
• a: 14.5272 ± 0.0005 Å
• b: 18.2708 ± 0.0006 Å
• c: 16.2 ± 0.0005 Å
• α: 90°
• β: 111.107 ± 0.001°
• γ: 90°
• Cell volume: 4011.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No