Information card for entry 4088309

Structure parameters

• Common name: DAC-9BBN (3)
• Formula: C38 H49 B N2 O2
• Calculated formula: C38 H49 B N2 O2
• SMILES: O=C1N(c2c(cc(cc2C)C)C)C(N(c2c(C)cc(cc2C)C)C(=O)C1(C)C)B1C2CCCC1CCC2.c1ccccc1
• 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: 8.172 ± 0.005 Å
• b: 16.783 ± 0.008 Å
• c: 12.13 ± 0.007 Å
• α: 90°
• β: 100.44 ± 0.02°
• γ: 90°
• Cell volume: 1636.1 ± 1.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No