Information card for entry 4517537

Structure parameters

• Formula: C22 H34 B2 O2
• Calculated formula: C22 H34 B2 O2
• Title of publication: A Boron‒Boron Double Transborylation Strategy for the Synthesis of gem-Diborylalkanes
• Authors of publication: Docherty, Jamie H.; Nicholson, Kieran; Dominey, Andrew P.; Thomas, Stephen P.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 4686
• a: 15.0776 ± 0.0002 Å
• b: 6.6335 ± 0.0001 Å
• c: 21.5511 ± 0.0003 Å
• α: 90°
• β: 102.6 ± 0.001°
• γ: 90°
• Cell volume: 2103.57 ± 0.05 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No