Information card for entry 4082176

Structure parameters

• Formula: C19 H15 O6 P W
• Calculated formula: C19 H15 O6 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])=C(C1=C(C)C(=CP1c1ccccc1)C)OC
• 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: 12.0588 ± 0.0011 Å
• b: 10.7193 ± 0.0009 Å
• c: 15.8075 ± 0.0014 Å
• α: 90°
• β: 104.875 ± 0.002°
• γ: 90°
• Cell volume: 1974.8 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No