Information card for entry 4087877

Structure parameters

• Formula: C40 H29 B2 F15 N2
• Calculated formula: C40 H29 B2 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: 15.3278 ± 0.0003 Å
• b: 14.9097 ± 0.0003 Å
• c: 16.4048 ± 0.0004 Å
• α: 90°
• β: 91.669 ± 0.001°
• γ: 90°
• Cell volume: 3747.45 ± 0.14 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1492
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No