Information card for entry 7156373

Structure parameters

• Formula: C16 H20 B Br O4
• Calculated formula: C16 H20 B Br O4
• Title of publication: trans-Hydroboration vs. 1,2-reduction: divergent reactivity of ynones and ynoates in Lewis-base-catalyzed reactions with pinacolborane.
• Authors of publication: Zi, You; Schömberg, Fritz; Seifert, Fabian; Görls, Helmar; Vilotijevic, Ivan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 6341 - 6349
• a: 7.2446 ± 0.0003 Å
• b: 10.9482 ± 0.0005 Å
• c: 21.3662 ± 0.0009 Å
• α: 90°
• β: 98.091 ± 0.003°
• γ: 90°
• Cell volume: 1677.8 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No