Information card for entry 4088721

Structure parameters

• Formula: C31 H19 O5 P W
• Calculated formula: C31 H19 O5 P W
• SMILES: C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(=C(c2c1cccc2)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Phosphorus‒Carbon Bond Forming Reactions of Diphenylphosphenium and Diphenylphosphine Triflate Complexes of Tungsten
• Authors of publication: Jayaraman, Arumugam; Sterenberg, Brian T.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 14
• Pages of publication: 2367
• a: 10.8459 ± 0.0006 Å
• b: 11.9834 ± 0.0006 Å
• c: 20.515 ± 0.0011 Å
• α: 90°
• β: 98.806 ± 0.001°
• γ: 90°
• Cell volume: 2634.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0315
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No