Information card for entry 4082178

Structure parameters

• Formula: C19 H15 O6 P S W
• Calculated formula: C19 H15 O6 P S W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C=C(C)C(=C1C(=S)OC)C)c1ccccc1
• Title of publication: Annelation of Phosphole-Substituted Fischer Carbene Complexes by Alkynes
• Authors of publication: Ng, Kim Hong; Li, Yongxin; Ganguly, Rakesh; Mathey, Francois
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7482
• a: 10.2561 ± 0.0002 Å
• b: 10.9951 ± 0.0002 Å
• c: 11.4642 ± 0.0003 Å
• α: 64.58 ± 0.001°
• β: 69.869 ± 0.001°
• γ: 62.637 ± 0.001°
• Cell volume: 1019.45 ± 0.04 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No