Information card for entry 7046841

Structure parameters

• Formula: C30 H21 B F15 N
• Calculated formula: C30 H21 B F15 N
• Title of publication: Formation of borata-alkene/iminium zwitterions by ynamine hydroboration.
• Authors of publication: Wang, Long; Jian, Zhongbao; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 10853 - 10856
• a: 9.0404 ± 0.0003 Å
• b: 16.5379 ± 0.0006 Å
• c: 19.356 ± 0.0007 Å
• α: 90°
• β: 99.772 ± 0.001°
• γ: 90°
• Cell volume: 2851.91 ± 0.17 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0453
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No