Information card for entry 7128567

Structure parameters

• Formula: C31 H24 B F9 N2 O3 S2
• Calculated formula: C31 H24 B F9 N2 O3 S2
• Title of publication: Multi-component synthesis of dihydro-1,3-azaborinine derived oxindole isosteres.
• Authors of publication: Li, Jun; Daniliuc, Constantin G.; Matern, Jonas; Fernández, Gustavo; Kehr, Gerald; Erker, Gerhard
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 62
• Pages of publication: 7689 - 7692
• a: 15.163 ± 0.0003 Å
• b: 26.207 ± 0.0005 Å
• c: 15.9881 ± 0.0003 Å
• α: 90°
• β: 101.068 ± 0.001°
• γ: 90°
• Cell volume: 6235.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0587
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No