Information card for entry 4135035

Structure parameters

• Common name: 3aa in manuscript
• Formula: C21 H30 B2 O5
• Calculated formula: C21 H30 B2 O5
• Title of publication: Visible-Light-Induced Radical Carbo-Cyclization/<i>gem</i>-Diborylation through Triplet Energy Transfer between a Gold Catalyst and Aryl Iodides.
• Authors of publication: Zhang, Lumin; Si, Xiaojia; Rominger, Frank; Hashmi, A Stephen K
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 6.5212 ± 0.0003 Å
• b: 11.9108 ± 0.0006 Å
• c: 27.1935 ± 0.0011 Å
• α: 90°
• β: 92.608 ± 0.003°
• γ: 90°
• Cell volume: 2110.01 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No