Information card for entry 4124405

Structure parameters

• Formula: C21 H44 B2 N2 O7
• Calculated formula: C21 H44 B2 N2 O7
• Title of publication: Mechanism of NHC-Catalyzed Conjugate Additions of Diboron and Borosilane Reagents to α,β-Unsaturated Carbonyl Compounds.
• Authors of publication: Wu, Hao; Garcia, Jeannette M.; Haeffner, Fredrik; Radomkit, Suttipol; Zhugralin, Adil R.; Hoveyda, Amir H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150811140748006
• a: 8.1777 ± 0.0003 Å
• b: 17.5288 ± 0.0006 Å
• c: 18.6171 ± 0.0006 Å
• α: 90°
• β: 101.375 ± 0.002°
• γ: 90°
• Cell volume: 2616.25 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No