Information card for entry 4088310

Structure parameters

• Common name: DAC-bpin (4)
• Formula: C30 H41 B N2 O4
• Calculated formula: C30 H41 B N2 O4
• SMILES: O=C1N(c2c(cc(cc2C)C)C)C(N(c2c(cc(cc2C)C)C)C(=O)C1(C)C)B1OC(C(O1)(C)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: 8.119 ± 0.002 Å
• b: 11.875 ± 0.003 Å
• c: 14.958 ± 0.005 Å
• α: 82.73 ± 0.02°
• β: 86.7 ± 0.03°
• γ: 82.128 ± 0.018°
• Cell volume: 1415.9 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1328
• 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