Information card for entry 4516779

Structure parameters

• Formula: C33 H45 Co N O4 P2
• Calculated formula: C33 H45 Co N O4 P2
• Title of publication: Insight into Transmetalation Enables Cobalt-Catalyzed Suzuki-Miyaura Cross Coupling.
• Authors of publication: Neely, Jamie M.; Bezdek, Máté J; Chirik, Paul J.
• Journal of publication: ACS central science
• Year of publication: 2016
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 935 - 942
• a: 21.8371 ± 0.0005 Å
• b: 9.5233 ± 0.0002 Å
• c: 15.8508 ± 0.0003 Å
• α: 90°
• β: 98.396 ± 0.001°
• γ: 90°
• Cell volume: 3261.02 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No