Information card for entry 4086700

Structure parameters

• Formula: C26 H17 O5 P W
• Calculated formula: C26 H17 O5 P W
• SMILES: [W]([PH]1c2ccccc2C(=C1c1ccccc1)c1ccc(cc1)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Blocking Intramolecular Cycloadditions between C≡C Triple Bonds and Electrophilic Phosphinidene Complexes: Generation of Intermediates Able To React with Arenes
• Authors of publication: Zhao, Xu; Lu, Zongming; Wang, Qiuyan; Wei, Donghui; Lu, Yunpeng; Duan, Zheng; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3440
• a: 7.7996 ± 0.0003 Å
• b: 12.564 ± 0.0007 Å
• c: 24.7311 ± 0.0012 Å
• α: 90°
• β: 98.753 ± 0.004°
• γ: 90°
• Cell volume: 2395.3 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 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: 0.0355
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No