Information card for entry 1570141

Structure parameters

• Formula: C12 H23 B2 I2 N5
• Calculated formula: C12 H23 B2 I2 N5
• 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: 10.2464 ± 0.0016 Å
• b: 14.259 ± 0.002 Å
• c: 13.0316 ± 0.0019 Å
• α: 90°
• β: 103.321 ± 0.004°
• γ: 90°
• Cell volume: 1852.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1085
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.0402 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No