Information card for entry 4022216

Structure parameters

• Formula: C34 H26 B Cl8 Cu F4 N4
• Calculated formula: C34 H26 B Cl8 Cu F4 N4
• SMILES: [Cu]1([N](=Cc2c(Cl)cccc2Cl)c2cccc(c2c2c(cccc2[N]1=Cc1c(Cl)cccc1Cl)C)C)([N]#CC)[N]#CC.ClCCl.ClCCl.[B](F)(F)(F)[F-]
• Title of publication: Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases
• Authors of publication: Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2002
• Journal volume: 67
• Pages of publication: 3450 - 3458
• a: 13.2095 ± 0.0005 Å
• b: 23.9347 ± 0.0005 Å
• c: 25.5398 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8074.8 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.264
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 2.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No