Information card for entry 1568668

Structure parameters

• Formula: C23 H23 B2 Br4 Cl2 N O
• Calculated formula: C23 H23 B2 Br4 Cl2 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: 7.3365 ± 0.0002 Å
• b: 12.5616 ± 0.0004 Å
• c: 15.3464 ± 0.0004 Å
• α: 107.814 ± 0.003°
• β: 93.035 ± 0.002°
• γ: 97.768 ± 0.002°
• Cell volume: 1327.45 ± 0.07 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0444
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No