Information card for entry 4127308

Structure parameters

• Formula: C23.5 H42.5 B I1.5 N5 O2
• Calculated formula: C23.5 H42.5 B I1.5 N5 O2
• Title of publication: A Versatile NHC-Parent Silyliumylidene Cation for Catalytic Chemo- and Regioselective Hydroboration.
• Authors of publication: Leong, Bi-Xiang; Lee, Jiawen; Li, Yan; Yang, Ming-Chung; Siu, Chi-Kit; Su, Ming-Der; So, Cheuk-Wai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 13.0847 ± 0.0006 Å
• b: 32.8113 ± 0.0016 Å
• c: 13.7965 ± 0.0007 Å
• α: 90°
• β: 106.296 ± 0.0018°
• γ: 90°
• Cell volume: 5685.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No