Information card for entry 7127160

Structure parameters

• Formula: C31 H32 B F6 N
• Calculated formula: C31 H32 B F6 N
• SMILES: [B]1(C(=C\C(C)(C)C)\c2ccccc2/C1=C\C(C)(C)C)(c1c(ccc(c1)C(F)(F)F)C(F)(F)F)[n]1ccccc1
• Title of publication: Using the FpXylBH₂•SMe₂ reagent for the regioselective synthesis of cyclic bis(alkenyl)boranes.
• Authors of publication: Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 81
• Pages of publication: 12178 - 12181
• a: 8.7063 ± 0.0004 Å
• b: 17.2992 ± 0.001 Å
• c: 18.1817 ± 0.0009 Å
• α: 90°
• β: 93.565 ± 0.003°
• γ: 90°
• Cell volume: 2733.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No