Information card for entry 4115727

Structure parameters

• Formula: C39 H30 Cl2 N O2 P2 W
• Calculated formula: C39 H30 Cl2 N O2 P2 W
• SMILES: [W]12(Cl)(Cl)([P](c3c(N2Cc2c([P]1(c1ccccc1)c1ccccc1)cccc2)cccc3)(c1ccccc1)c1ccccc1)(C#[O])C#[O]
• 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: 11.0236 ± 0.0002 Å
• b: 12.0855 ± 0.0002 Å
• c: 16.662 ± 0.0003 Å
• α: 68.995 ± 0.001°
• β: 85.736 ± 0.001°
• γ: 71.926 ± 0.001°
• Cell volume: 1968.35 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No