Information card for entry 4087875

Structure parameters

• Formula: C34 H23 B2 Cl2 F15 N2
• Calculated formula: C34 H23 B2 Cl2 F15 N2
• Title of publication: Trisubstituted Boroles by 1,1-Carboboration
• Authors of publication: Ge, Fang; Kehr, Gerald; Daniliuc, Constantin G.; Mück-Lichtenfeld, Christian; Erker, Gerhard
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4205
• a: 7.9556 ± 0.0001 Å
• b: 22.476 ± 0.0004 Å
• c: 19.1903 ± 0.0003 Å
• α: 90°
• β: 92.93 ± 0.0009°
• γ: 90°
• Cell volume: 3426.93 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No