Information card for entry 4088308

Structure parameters

• Common name: DAC-BH3ring expanded (2)
• Formula: C24 H31 B N2 O2
• Calculated formula: C24 H31 B N2 O2
• SMILES: O=C1N(CBN(C(=O)C1(C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 11.659 ± 0.003 Å
• b: 12.699 ± 0.003 Å
• c: 15.497 ± 0.004 Å
• α: 85.322 ± 0.005°
• β: 72.721 ± 0.005°
• γ: 88.791 ± 0.005°
• Cell volume: 2183.6 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1416
• 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