Information card for entry 7128566

Structure parameters

• Formula: C35 H28 B F9 N2 O3
• Calculated formula: C35 H28 B F9 N2 O3
• 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: 13.6617 ± 0.0003 Å
• b: 14.004 ± 0.0003 Å
• c: 18.5575 ± 0.0004 Å
• α: 70.233 ± 0.001°
• β: 87.771 ± 0.001°
• γ: 83.541 ± 0.001°
• Cell volume: 3319.98 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No