Information card for entry 7106160

Structure parameters

• Formula: C54.5 H47 F6 N O2 P Pd Sb
• Calculated formula: C54.5 H47 F6 N O2 P Pd Sb
• SMILES: F[Sb](F)(F)([F-])(F)F.C1CCCCCC1.[P]12(N([C@H](c3ccccc3)C)[C@H]([C]34C=CC=C[CH]=3[Pd]3524[CH2]=[CH]3C5)C)Oc2c(c3c(cccc3)cc2c2ccccc2)c2c(c(c3ccccc3)cc3c2cccc3)O1
• Title of publication: Highly efficient desymmetrisation of a tricarbonylchromium 1,4-dibromonaphthalene complex by asymmetric Suzuki–Miyaura coupling
• Authors of publication: Xavier Urbaneja; Audrey Mercier; Celine Besnard; Peter Kundig
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3739
• a: 12.593 ± 0.001 Å
• b: 12.593 ± 0.001 Å
• c: 59.124 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9376.1 ± 1.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 8
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.0965
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No