Information card for entry 4345890

Structure parameters

• Formula: C23 H32 B3 F8 N3 O2
• Calculated formula: C23 H32 B3 F8 N3 O2
• SMILES: [B](c1ccccc1)(=C1N(C)C(C)(C)CO1)(=C1N(C)C(C)(C)CO1)[n]1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Formation of Boron-Main-Group Element Bonds by Reactions with a Tricoordinate Organoboron L2PhB: (L = Oxazol-2-ylidene).
• Authors of publication: Kong, Lingbing; Lu, Wei; Yongxin, Li; Ganguly, Rakesh; Kinjo, Rei
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5586 - 5593
• a: 12.1766 ± 0.0014 Å
• b: 13.1172 ± 0.0013 Å
• c: 33.945 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5421.8 ± 1 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No