Information card for entry 4032052

Structure parameters

• Formula: C44 H49 O11 Os3 P
• Calculated formula: C44 H49 O11 Os3 P
• SMILES: c1(c(cccc1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)[P](C1CCCCC1)(C1CCCCC1)[Os]1(C#[O])(C#[O])(C#[O])[Os](C#[O])(C#[O])(C#[O])(C#[O])[Os]1(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Osmium(0)-Catalyzed C-C Coupling of Ethylene and α-Olefins with Diols, Ketols, or Hydroxy Esters via Transfer Hydrogenation.
• Authors of publication: Park, Boyoung Y.; Luong, Tom; Sato, Hiroki; Krische, Michael J.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 18
• Pages of publication: 8585 - 8594
• a: 11.6048 ± 0.0002 Å
• b: 13.5575 ± 0.0002 Å
• c: 15.1224 ± 0.0002 Å
• α: 74.397 ± 0.001°
• β: 75.404 ± 0.001°
• γ: 84.186 ± 0.001°
• Cell volume: 2216.17 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0229
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No