Information card for entry 4081851

Structure parameters

• Formula: C14 H20 B N
• Calculated formula: C14 H20 B N
• SMILES: [B@H]12[N]3(Cc4ccccc14)CCCC[C@@H]2CC3.[B@@H]12[N]3(Cc4ccccc14)CCCC[C@H]2CC3
• Title of publication: Electrophilic C‒H Borylation and Related Reactions of B‒H Boron Cations
• Authors of publication: Prokofjevs, Aleksandrs; Jermaks, Janis; Borovika, Alina; Kampf, Jeff W.; Vedejs, Edwin
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6701
• a: 20.341 ± 0.003 Å
• b: 6.1762 ± 0.0009 Å
• c: 19.118 ± 0.004 Å
• α: 90°
• β: 91.547 ± 0.018°
• γ: 90°
• Cell volume: 2400.9 ± 0.7 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No