Information card for entry 4332289

Structure parameters

• Formula: C27 H26 I P3
• Calculated formula: C27 H26 I P3
• SMILES: C1CCP(c2ccccc2)(c2ccccc2)=P[P+]1(c1ccccc1)c1ccccc1.[I-]
• Title of publication: Phosphorus(I) Iodide: A Versatile Metathesis Reagent for the Synthesis of Low Oxidation State Phosphorus Compounds
• Authors of publication: Ellis, Bobby D.; Macdonald, Charles L. B.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 6864 - 6874
• a: 10.9315 ± 0.001 Å
• b: 19.2143 ± 0.0018 Å
• c: 12.9085 ± 0.0012 Å
• α: 90°
• β: 110.931 ± 0.002°
• γ: 90°
• Cell volume: 2532.4 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No