Information card for entry 4033815

Structure parameters

• Common name: 9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex
• Chemical name: 9-phosphatriptycene triphenylcarbenium tetrafluoroborate complex
• Formula: C38 H28 B F4 P
• Calculated formula: C38 H28 B F4 P
• SMILES: c12ccccc1C1c3c([P+]2(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc12)cccc3.[B](F)(F)(F)[F-]
• Title of publication: Complementary Synthetic Approaches toward 9-Phosphatriptycene and Structure-Reactivity Investigations of Its Association with Sterically Hindered Lewis Acids.
• Authors of publication: Hu, Lei; Mahaut, Damien; Tumanov, Nikolay; Wouters, Johan; Robiette, Raphaël; Berionni, Guillaume
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 11268 - 11274
• a: 13.4876 ± 0.0002 Å
• b: 13.4876 ± 0.0002 Å
• c: 57.4638 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9053 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.2026
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No