Information card for entry 1568670

Structure parameters

• Formula: C24.5 H24 B2 Br4 Cl N O
• Calculated formula: C24.5 H24 B2 Br4 Cl 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: 17.5337 ± 0.0011 Å
• b: 9.019 ± 0.0003 Å
• c: 18.6811 ± 0.0008 Å
• α: 90°
• β: 117.156 ± 0.006°
• γ: 90°
• Cell volume: 2628.5 ± 0.3 ų
• Cell temperature: 120.01 ± 0.13 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No