Information card for entry 7707204

Structure parameters

• Formula: C20 H30 B2 N2 O4
• Calculated formula: C20 H30 B2 N2 O4
• Title of publication: Mechanistic insights into the dearomative diborylation of pyrazines: a radical or non-radical process?
• Authors of publication: Gao, Liuzhou; Zhang, Hanyin; Liu, Xueting; Wang, Guoqiang; Li, Shuhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 20
• Pages of publication: 6982 - 6990
• a: 15.7142 ± 0.0011 Å
• b: 11.0458 ± 0.0008 Å
• c: 12.8792 ± 0.0009 Å
• α: 90°
• β: 107.916 ± 0.003°
• γ: 90°
• Cell volume: 2127.1 ± 0.3 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0466
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No