Information card for entry 4084201

Structure parameters

• Formula: C25 H19 O12 P W
• Calculated formula: C25 H19 O12 P W
• SMILES: [W]([P@]1(c2ccccc2)[C@@H]2[C@](C)([C@@]3(C1=CC(=O)[C@]1([C@]3(C(=O)OC)O1)C(=O)OC)C)O2)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@]1(c2ccccc2)[C@H]2[C@@](C)([C@]3(C1=CC(=O)[C@@]1([C@@]3(C(=O)OC)O1)C(=O)OC)C)O2)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Modifying the Chemistry of the Phosphole Dienic System by α-Vinylation
• Authors of publication: Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 16
• Pages of publication: 4245
• a: 9.3976 ± 0.0009 Å
• b: 10.0987 ± 0.0011 Å
• c: 14.5996 ± 0.0013 Å
• α: 108.019 ± 0.005°
• β: 101.382 ± 0.005°
• γ: 91.405 ± 0.005°
• Cell volume: 1286.2 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No