Information card for entry 4084199

Structure parameters

• Formula: C19 H15 O5 P W
• Calculated formula: C19 H15 O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C(=C(C)C(=C1)C)C=C)c1ccccc1
• 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: 9.346 ± 0.0007 Å
• b: 9.0127 ± 0.0005 Å
• c: 22.249 ± 0.0014 Å
• α: 90°
• β: 93.896 ± 0.004°
• γ: 90°
• Cell volume: 1869.8 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No