Information card for entry 4080589

Structure parameters

• Formula: C19 H15 O7 P W
• Calculated formula: C19 H15 O7 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]1(C=C(C)C(=C1C(=O)OC)C)c1ccccc1
• Title of publication: The Original Reactivity of a Phosphole-Substituted Fischer Carbene Complex
• 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: 8
• Pages of publication: 2287
• a: 12.8473 ± 0.001 Å
• b: 10.3999 ± 0.0009 Å
• c: 15.6057 ± 0.0013 Å
• α: 90°
• β: 105.103 ± 0.002°
• γ: 90°
• Cell volume: 2013.1 ± 0.3 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: 0.0313
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No