Information card for entry 4121496

Structure parameters

• Formula: C25 H27 Br N O P Si
• Calculated formula: C25 H27 Br N O P Si
• Title of publication: NHC-Cu-Catalyzed Addition of Propargylboron Reagents to Phosphinoylimines. Enantioselective Synthesis of Trimethylsilyl-Substituted Homoallenylamides and Application to the Synthesis of S-(-)-Cyclooroidin.
• Authors of publication: Mszar, Nicholas W.; Haeffner, Fredrik; Hoveyda, Amir H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 9
• Pages of publication: 3362 - 3365
• a: 19.8739 ± 0.0008 Å
• b: 10.2459 ± 0.0005 Å
• c: 24.6435 ± 0.0009 Å
• α: 90°
• β: 96.599 ± 0.003°
• γ: 90°
• Cell volume: 4984.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0999
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1717
• 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: No
• Has Fobs: No