Information card for entry 7047179

Structure parameters

• Formula: C24 H34 B Co N3 O5
• Calculated formula: C24 H34 B Co N3 O5
• Title of publication: Cobalt(ii) acyl intermediates in carbon-carbon bond formation and oxygenation.
• Authors of publication: Reinig, Regina R.; Fought, Ellie L.; Ellern, Arkady; Windus, Theresa L.; Sadow, Aaron D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 35
• Pages of publication: 12147 - 12161
• a: 14.271 ± 0.003 Å
• b: 23.235 ± 0.005 Å
• c: 15.881 ± 0.003 Å
• α: 90 ± 0.03°
• β: 99.79 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 5189.2 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No