Information card for entry 2237105

Structure parameters

• Chemical name: (Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate
• Formula: C21 H26 F3 O3 P S
• Calculated formula: C21 H26 F3 O3 P S
• SMILES: [P+]1(c2ccccc2c2ccccc12)(C(C)(C)C)C(C)(C)C.C(S(=O)(=O)[O-])(F)(F)F
• Title of publication: (Biphenyl-2,2'-diyl)di-<i>tert</i>-butylphosphonium trifluoromethanesulfonate
• Authors of publication: Muller, Alfred; Holzapfel, Cedric W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o20
• a: 12.1339 ± 0.001 Å
• b: 12.1339 ± 0.001 Å
• c: 30.057 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4425.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes