Information card for entry 4084202

Structure parameters

• Formula: C25 H21 O9 P W
• Calculated formula: C25 H21 O9 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@@]1(c2ccccc2)C=C(C)[C@@]2(C)C1=CCC(=C2C(=O)OC)C(=O)OC.[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P@]1(c2ccccc2)C=C(C)[C@]2(C)C1=CCC(=C2C(=O)OC)C(=O)OC
• 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: 7.8997 ± 0.0002 Å
• b: 13.3814 ± 0.0004 Å
• c: 13.989 ± 0.0004 Å
• α: 66.3596 ± 0.0016°
• β: 89.6223 ± 0.0016°
• γ: 74.1012 ± 0.0016°
• Cell volume: 1293.87 ± 0.07 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: 0.0409
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No