Information card for entry 1568671

Structure parameters

• Formula: C25 H27 B Cl3 N O
• Calculated formula: C25 H27 B Cl3 N O
• Title of publication: Amides as modifiable directing groups in electrophilic borylation.
• Authors of publication: Iqbal, Saqib A.; Uzelac, Marina; Nawaz, Ismat; Wang, Zhongxing; Jones, T. Harri; Yuan, Kang; Millet, Clement R. P.; Nichol, Gary S.; Chotana, Ghayoor Abbas; Ingleson, Michael J.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3865 - 3872
• a: 11.9253 ± 0.0005 Å
• b: 13.1059 ± 0.0008 Å
• c: 16.0617 ± 0.0006 Å
• α: 86.088 ± 0.004°
• β: 72.721 ± 0.003°
• γ: 77.089 ± 0.004°
• Cell volume: 2336.4 ± 0.2 ų
• Cell temperature: 120.1 ± 0.5 K
• Ambient diffraction temperature: 120.1 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No