Information card for entry 4115726

Structure parameters

• Formula: C42 H33 B Cl4 F4 N O3 P2 W
• Calculated formula: C42 H33 B Cl4 F4 N O3 P2 W
• SMILES: [W]123([P](c4c([N]2=[CH]3c2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc4)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• Title of publication: An Unusual Reduction of an Imine Bond: The Isolation of a Stable π-Iminium Intermediate
• Authors of publication: Eric W. Ainscough; Andrew M. Brodie; Anthony K. Burrell; Steven M. F. Kennedy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 10391 - 10392
• a: 10.9188 ± 0.0001 Å
• b: 12.8835 ± 0.0001 Å
• c: 17.4328 ± 0.0001 Å
• α: 95.652 ± 0.001°
• β: 105.264 ± 0.001°
• γ: 111.094 ± 0.001°
• Cell volume: 2155.81 ± 0.04 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No