Information card for entry 7042296

Structure parameters

• Formula: C33 H30 F7 N O3 P2 S
• Calculated formula: C33 H30 F7 N O3 P2 S
• SMILES: P(c1ccccc1)(c1ccccc1)(Cc1[n+](c(ccc1)CP(F)(c1ccccc1)(c1ccccc1)F)C)(F)F.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: Metal-free pincer ligand chemistry polycationic phosphonium Lewis acids.
• Authors of publication: Szkop, Kevin M.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 3921 - 3928
• a: 16.7886 ± 0.0016 Å
• b: 16.6604 ± 0.0015 Å
• c: 27.55 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7705.9 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1026
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No