Information card for entry 1570143

Structure parameters

• Formula: C9 H11 B2 I N6
• Calculated formula: C9 H11 B2 I N6
• Title of publication: Borylation directed borylation of <i>N</i>-alkyl anilines using iodine activated pyrazaboles.
• Authors of publication: Millet, C. R. P.; Noone, E.; Schellbach, A. V.; Pahl, J.; Łosiewicz, J; Nichol, G. S.; Ingleson, M. J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 12041 - 12048
• a: 15.8673 ± 0.0012 Å
• b: 11.135 ± 0.0008 Å
• c: 15.4788 ± 0.0011 Å
• α: 90°
• β: 98.15 ± 0.004°
• γ: 90°
• Cell volume: 2707.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No