Information card for entry 7036667

Structure parameters

• Formula: C30 H11 B F15 I
• Calculated formula: C30 H11 B F15 I
• SMILES: [I+](c1ccccc1)c1ccccc1.Fc1c(c(F)c(F)c(F)c1F)[BH](c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Photo Lewis acid generators: photorelease of B(C6F5)3 and applications to catalysis.
• Authors of publication: Khalimon, Andrey Y.; Shaw, Bryan K.; Marwitz, Adam J. V.; Piers, Warren E.; Blackwell, James M.; Parvez, Masood
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18196 - 18206
• a: 28.2437 ± 0.0007 Å
• b: 10.4776 ± 0.0003 Å
• c: 18.8072 ± 0.0004 Å
• α: 90°
• β: 93.544 ± 0.0014°
• γ: 90°
• Cell volume: 5554.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No