Information card for entry 7128258

Structure parameters

• Formula: C33 H57 B O2
• Calculated formula: C33 H57 B O2
• Title of publication: Transition metal- and light-free radical borylation of alkyl bromides and iodides using silane.
• Authors of publication: Sun, Beiqi; Zheng, Sihan; Mo, Fanyang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 46
• Pages of publication: 5674 - 5677
• a: 23.1307 ± 0.0001 Å
• b: 11.0429 ± 0.0001 Å
• c: 24.4853 ± 0.0001 Å
• α: 90°
• β: 97.165 ± 0.001°
• γ: 90°
• Cell volume: 6205.44 ± 0.07 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No