Information card for entry 4512945

Structure parameters

• Formula: C36 H52 Br Co N2 O2
• Calculated formula: C36 H52 Br Co N2 O2
• Title of publication: Aluminum(salen) Complexes as Catalysts for the Kinetic Resolution of Terminal Epoxides via CO2Coupling
• Authors of publication: North, Michael; Quek, Sophie C. Z.; Pridmore, Natalie E.; Whitwood, Adrian C.; Wu, Xiao
• Journal of publication: ACS Catalysis
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 6
• Pages of publication: 3398
• a: 10.795 ± 0.0002 Å
• b: 12.6416 ± 0.0004 Å
• c: 14.6957 ± 0.0004 Å
• α: 65.979 ± 0.003°
• β: 89.9734 ± 0.0019°
• γ: 71.994 ± 0.002°
• Cell volume: 1723.83 ± 0.09 ų
• Cell temperature: 110 ± 0.14 K
• Ambient diffraction temperature: 110 ± 0.14 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No