Information card for entry 4086699

Structure parameters

• Formula: C25 H13 O5 P W
• Calculated formula: C25 H13 O5 P W
• SMILES: [W]([PH]1c2c3ccccc3c3c(c2c2c1cccc2)cccc3)(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: 17.574 ± 0.0009 Å
• b: 6.6713 ± 0.0004 Å
• c: 18.4915 ± 0.0007 Å
• α: 90°
• β: 96.93 ± 0.006°
• γ: 90°
• Cell volume: 2152.13 ± 0.19 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No