Information card for entry 7047186

Structure parameters

• Formula: C29 H36 B Co N3 O5
• Calculated formula: C29 H36 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: 12.233 ± 0.003 Å
• b: 14.313 ± 0.004 Å
• c: 17.118 ± 0.005 Å
• α: 74.05 ± 0.02°
• β: 80.17 ± 0.04°
• γ: 87.18 ± 0.02°
• Cell volume: 2839.5 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No