Information card for entry 7133048

Structure parameters

• Formula: C29 H8 B F15 N2
• Calculated formula: C29 H8 B F15 N2
• Title of publication: Hetero Diels-Alder reactions of isolable <i>N</i>-borylenamines.
• Authors of publication: Liang, Pei; Wei, Junhui; Wei, Yongliang; Wang, Xue; Liu, Fei; Wang, Tongdao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 46
• Pages of publication: 5964 - 5967
• a: 13.6313 ± 0.0003 Å
• b: 19.4305 ± 0.0006 Å
• c: 24.194 ± 0.0008 Å
• α: 90°
• β: 99.003 ± 0.003°
• γ: 90°
• Cell volume: 6329.1 ± 0.3 ų
• Cell temperature: 292.5 ± 0.8 K
• Ambient diffraction temperature: 292.5 ± 0.8 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No