Information card for entry 4119433

Structure parameters

• Formula: C55 H57 Al F36 O4 P
• Calculated formula: C55 H57 Al F36 O4 P
• SMILES: [Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.c1(c(cc(cc1C(C)C)C(C)C)C(C)C)P(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C)C)C
• Title of publication: Isolation and X-ray Crystal Structures of Triarylphosphine Radical Cations
• Authors of publication: Xiaobo Pan; Xiaoyu Chen; Tao Li; Yizhi Li; Xinping Wang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 3414 - 3417
• a: 14.1829 ± 0.0011 Å
• b: 15.8349 ± 0.0015 Å
• c: 16.8039 ± 0.0017 Å
• α: 115.01 ± 0.002°
• β: 108.115 ± 0.003°
• γ: 94.478 ± 0.002°
• Cell volume: 3152.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No