Information card for entry 4106323

Structure parameters

• Formula: C19 H27 O4 P W
• Calculated formula: C19 H27 O4 P W
• SMILES: [C]12(=[C]3(C(C)(C)C)[W]42([P]1=[C]34C(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O])C(C)(C)C
• Title of publication: Remarkable Metal-Complexed Phosphorus Analogues of the Cyclopropenylcarbene-Cyclobutadiene Rearrangement
• Authors of publication: Volodymyr Lyaskovskyy; Niels Elders; Andreas W. Ehlers; Martin Lutz; J. Chris Slootweg; Koop Lammertsma
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 9704 - 9707
• a: 12.47483 ± 0.00015 Å
• b: 16.8358 ± 0.00007 Å
• c: 9.7775 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2053.51 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0113
• Weighted residual factors for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections included in the refinement: 0.0246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No