Information card for entry 7104287

Structure parameters

• Formula: C39 H18 As2 O20 P4 W4
• Calculated formula: C39 H18 As2 O20 P4 W4
• SMILES: [W]([P]12[AsH][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])[As]1[PH]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])c1c3cccc1)c1c2cccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].c1(ccccc1)C
• 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: 12.2685 ± 0.0005 Å
• b: 12.4386 ± 0.0005 Å
• c: 18.7689 ± 0.0007 Å
• α: 96.5 ± 0.003°
• β: 102.035 ± 0.004°
• γ: 115.791 ± 0.004°
• Cell volume: 2453.6 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0485
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No