Information card for entry 4088314

Structure parameters

• Common name: DAC-BF3
• Formula: C24 H28 B F3 N2 O2
• Calculated formula: C24 H28 B F3 N2 O2
• SMILES: F[B](=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C)(F)F
• Title of publication: Diamidocarbene Induced B‒H Activation: A New Class of Initiator-Free Olefin Hydroboration Reagents
• Authors of publication: Lastovickova, Dominika N.; Bielawski, Christopher W.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 5
• Pages of publication: 706
• a: 15.589 ± 0.0017 Å
• b: 16.4336 ± 0.0017 Å
• c: 9.1255 ± 0.001 Å
• α: 90°
• β: 90.038 ± 0.003°
• γ: 90°
• Cell volume: 2337.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No