Information card for entry 1518491

Structure parameters

• Formula: C30 H37 Co2 N3 O5 P2 Si
• Calculated formula: C29.97 H34.91 Co2 N3 O5 P2 Si
• SMILES: [Co]123([Co]4([P](n5cccc5)(N5[P@]1(O[C@@H]1Cc6c(cccc6)[C@H]51)C(C)(C)C)n1cccc1)([CH]2=[C]34[Si](C)(C)C)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Asymmetric Intermolecular Cobalt-Catalyzed Pauson-Khand Reaction Using a P-Stereogenic Bis-phosphane.
• Authors of publication: Orgué, Sílvia; León, Thierry; Riera, Antoni; Verdaguer, Xavier
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 250 - 253
• a: 8.8649 ± 0.0008 Å
• b: 20.8055 ± 0.0019 Å
• c: 9.1083 ± 0.0008 Å
• α: 90°
• β: 101.487 ± 0.003°
• γ: 90°
• Cell volume: 1646.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No