Information card for entry 7104288

Structure parameters

• Formula: C33 H12 Cl2 O20 P6 W4
• Calculated formula: C33 H12 Cl2 O20 P6 W4
• SMILES: [W]([P]12P[P]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P]3([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])P1[PH]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1c3cccc1)c1c2cccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].ClCCl
• Title of publication: 1,2,3-triphosphole derivatives as reactive intermediates.
• Authors of publication: Stubenhofer, Markus; Kuntz, Christian; Balázs, Gábor; Zabel, Manfred; Scheer, Manfred
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 1745 - 1747
• a: 11.547 ± 0.003 Å
• b: 14.237 ± 0.003 Å
• c: 17.07 ± 0.007 Å
• α: 111.295 ± 0.006°
• β: 104.846 ± 0.007°
• γ: 99.201 ± 0.018°
• Cell volume: 2425.6 ± 1.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0395
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No