Information card for entry 7107991

Structure parameters

• Formula: C20 H17 O10 P3 W2
• Calculated formula: C20 H17 O10 P3 W2
• SMILES: [W]([P@H]1[P@@]2([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])P[C@]3([C@@]1(C(=C([C@@]23C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@H]1[P@]2([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])P[C@@]3([C@]1(C(=C([C@]23C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Stepwise activation of 'non-innocent' Cp* substituents ‒ a Cp* based cascade reaction
• Authors of publication: Markus Stubenhofer; Giuliano Lassandro; Gabor Balazs; Alexey Y. Timoshkin; Manfred Scheer
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 58
• Pages of publication: 7262 - 7264
• a: 9.4184 ± 0.0005 Å
• b: 10.4395 ± 0.0005 Å
• c: 15.6135 ± 0.0008 Å
• α: 71.461 ± 0.005°
• β: 89.764 ± 0.004°
• γ: 64.716 ± 0.005°
• Cell volume: 1300.46 ± 0.14 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 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: 0.0556
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No