Information card for entry 1571191

Structure parameters

• Formula: C22 H34 Co N O P
• Calculated formula: C22 H34 Co N O P
• SMILES: [Co]12345([P](C(C)C)(Cc6n1c(=O)ccc6)C(C)C)[c]1([c]2([c]4([c]5([c]31C)C)C)C)C
• Title of publication: Cobalt-catalyzed double hydroboration of pyridines
• Authors of publication: Höeg, Finn; Luxenberger, Lea; Fedulin, Andrey; Jacobi von Wangelin, Axel
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 5201 - 5210
• a: 14.7865 ± 0.0005 Å
• b: 10.4516 ± 0.0003 Å
• c: 13.5026 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2086.73 ± 0.1 ų
• Cell temperature: 99.96 ± 0.18 K
• Ambient diffraction temperature: 99.96 ± 0.18 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No