Information card for entry 1529316

Structure parameters

• Formula: C70 H79 Co2 N9 O4
• Calculated formula: C70 H79 Co2 N9 O4
• Title of publication: Cobalt catalyzed sp3C‒H amination utilizing aryl azides
• Authors of publication: Villanueva, Omar; Weldy, Nina Mace; Blakey, Simon B.; MacBeth, Cora E.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 11
• Pages of publication: 6672
• a: 14.064 ± 0.003 Å
• b: 14.064 ± 0.003 Å
• c: 27.143 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4649.5 ± 1.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No