Information card for entry 4088312

Structure parameters

• Common name: 2DAC-BH3
• Formula: C48 H59 B N4 O4
• Calculated formula: C48 H59 B N4 O4
• SMILES: O=C1N(c2c(cc(cc2C)C)C)B(C2N(c3c(cc(cc3C)C)C)C(=O)C(C(=O)N2c2c(cc(cc2C)C)C)(C)C)CN(c2c(cc(cc2C)C)C)C(=O)C1(C)C
• 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: 16.8362 ± 0.0003 Å
• b: 12.092 ± 0.0003 Å
• c: 23.6248 ± 0.0004 Å
• α: 90°
• β: 91.107 ± 0.002°
• γ: 90°
• Cell volume: 4808.72 ± 0.17 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No