Information card for entry 4088307

Structure parameters

• Common name: DAC-BH3NMe3 (1NMe3)
• Formula: C27 H43 B N3 O2
• Calculated formula: C27 H40 B N3 O2
• SMILES: O=C1N(c2c(cc(cc2C)C)C)C(N(c2c(cc(cc2C)C)C)C(=O)C1(C)C)[BH2][N](C)(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: 8.8352 ± 0.0012 Å
• b: 12.6874 ± 0.0017 Å
• c: 12.1513 ± 0.0017 Å
• α: 90°
• β: 109.329 ± 0.003°
• γ: 90°
• Cell volume: 1285.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0818
• 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