Information card for entry 7135643

Structure parameters

• Chemical name: 1
• Formula: C14 H33 B21 Br N O2
• Calculated formula: C14 H33 B21 Br N O2
• Title of publication: 1,4-Bromoboration of Nitroalkenes
• Authors of publication: Vashisth, Kanika; Martin, Caleb Daniel
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 7.715 ± 0.0003 Å
• b: 19.7499 ± 0.0009 Å
• c: 18.9664 ± 0.0009 Å
• α: 90°
• β: 93.695 ± 0.002°
• γ: 90°
• Cell volume: 2883.9 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No