Information card for entry 4067170

Structure parameters

• Chemical name: Dimethylphenylphosphonium 2,3,5-triphenylcyclopentadienylide
• Formula: C32 H29 Cl2 P
• Calculated formula: C32 H29 Cl2 P
• SMILES: C1(=C(C(C(=C1)c1ccccc1)=P(C)(C)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Unprecedented Ring Transformation of an α,α′-Monosubstituted 2,4,5-Triphenylpyrylium Salt with η3-Phosphines: Efficient Synthesis of Aryl- and Alkylphosphonium Triphenylcyclopentadienylides
• Authors of publication: Xu, Tao; Gong, Wei-tao; Ye, Jun-wei; Lin, Yuan; Ning, Gui-ling
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 24
• Pages of publication: 6744
• a: 16.5447 ± 0.0005 Å
• b: 9.053 ± 0.0003 Å
• c: 18.7979 ± 0.0005 Å
• α: 90°
• β: 102.671 ± 0.002°
• γ: 90°
• Cell volume: 2746.96 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1065
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.3067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No