Information card for entry 4084198

Structure parameters

• Formula: C30 H20 O10 P2 W2
• Calculated formula: C30 H20 O10 P2 W2
• SMILES: [W]([P@@]1(C=C(C)C(=C1[C@H]1[P@@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C1)c1ccccc1)C)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]1(C=C(C)C(=C1[C@@H]1[P@]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C1)c1ccccc1)C)c1ccccc1)(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: 10.5975 ± 0.0004 Å
• b: 11.3475 ± 0.0004 Å
• c: 14.5752 ± 0.0005 Å
• α: 73.5805 ± 0.0015°
• β: 80.4996 ± 0.0015°
• γ: 68.8731 ± 0.0015°
• Cell volume: 1564.34 ± 0.1 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: 0.0372
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No