Information card for entry 4069801

Structure parameters

• Formula: C22 H28 I3 N2 P
• Calculated formula: C22 H28 I3 N2 P
• SMILES: P1=[N+](C(=C(N1c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C.I[I-]I
• Title of publication: A Convenient Method for the Preparation of N-Heterocyclic Bromophosphines: Excellent Precursors to the Corresponding N-Heterocyclic Phosphenium Salts
• Authors of publication: Dube, Jonathan W.; Farrar, Gregory J.; Norton, Erin L.; Szekely, Kara L. S.; Cooper, Benjamin F. T.; Macdonald, Charles L. B.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4377
• a: 14.0085 ± 0.0014 Å
• b: 15.578 ± 0.0016 Å
• c: 24.014 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5240.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No