Information card for entry 7714584

Structure parameters

• Formula: C27 H17 B F10 N2
• Calculated formula: C27 H17 B F10 N2
• SMILES: Fc1c(c(F)c(F)c(F)c1F)[B]([n]1ccc(N(C)C)cc1)(c1c(F)c(F)c(F)c(F)c1F)/C=C/c1ccccc1
• Title of publication: Coordination chemistry and FLP reactivity of 1,1- and 1,2-bis-boranes.
• Authors of publication: Yeganeh-Salman, Amir; Yeung, Jason; Miao, Linkun; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1178 - 1189
• a: 10.5293 ± 0.0014 Å
• b: 11.404 ± 0.0015 Å
• c: 12.0299 ± 0.0014 Å
• α: 115.932 ± 0.005°
• β: 104.289 ± 0.005°
• γ: 98.93 ± 0.006°
• Cell volume: 1200.1 ± 0.3 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No