Information card for entry 4067169

Structure parameters

• Chemical name: Trimethyl(2,3,5-triphenyl-1,3-pentadien-5-one)phosphonium perchlorate
• Formula: C26 H26 Cl O5 P
• Calculated formula: C26 H26 Cl O5 P
• 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: 10.6802 ± 0.0005 Å
• b: 22.1133 ± 0.001 Å
• c: 11.5904 ± 0.0005 Å
• α: 90°
• β: 114.767 ± 0.003°
• γ: 90°
• Cell volume: 2485.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.2385
• Weighted residual factors for all reflections included in the refinement: 0.2833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No