Information card for entry 4038577

Structure parameters

• Formula: C32 H29 Co2 N O8 Si
• Calculated formula: C32 H29 Co2 N O8 Si
• SMILES: [Co]12([Co]3([C]1(C1=C[C@@H]([C@@]4(OCc5ccccc5)c5c(N(C4=O)C)cccc5)CC1)=[C]23[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[Co]12([Co]3([C]1(C1=C[C@H]([C@]4(OCc5ccccc5)c5c(N(C4=O)C)cccc5)CC1)=[C]23[Si](C)(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Rh(II)/Ag(I) co-catalyzed three-component reaction via SN1/SN1'-type trapping of oxonium ylide with Nicholas intermediate.
• Authors of publication: Kang, Zhenghui; Shou, Jiayi; Xing, Dong; Hu, Wenhao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 11.29 ± 0.0004 Å
• b: 15.0614 ± 0.0004 Å
• c: 19.1778 ± 0.0008 Å
• α: 90°
• β: 93.217 ± 0.003°
• γ: 90°
• Cell volume: 3255.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No