Information card for entry 4116192

Structure parameters

• Formula: C32 H37 Co2 O6 P S
• Calculated formula: C32 H37 Co2 O6 P S
• SMILES: [Co]123([Co]4([P]([C@H]5[S]1C([C@H]1[C@H](O5)C[C@@H](CC1)C)(C)C)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])[C]2(=[CH]34)C(O)(C)C)(C#[O])C#[O]
• Title of publication: A New Chiral Bidentate (P,S) Ligand for the Asymmetric Intermolecular Pauson-Khand Reaction
• Authors of publication: Xavier Verdaguer; Albert Moyano; Miquel A. Pericàs; Antoni Riera; Miguel Angel Maestro; José Mahía
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 10242 - 10243
• a: 8.355 ± 0.002 Å
• b: 17.337 ± 0.004 Å
• c: 11.351 ± 0.003 Å
• α: 90°
• β: 96.55 ± 0.02°
• γ: 90°
• Cell volume: 1633.5 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No