Information card for entry 4087876

Structure parameters

• Formula: C71 H47 B4 F30 N2
• Calculated formula: C71 H47 B4 F30 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: 13.9545 ± 0.0003 Å
• b: 23.65 ± 0.0005 Å
• c: 20.8837 ± 0.0004 Å
• α: 90°
• β: 107.488 ± 0.0009°
• γ: 90°
• Cell volume: 6573.6 ± 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: 0.0575
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No