Information card for entry 4088311

Structure parameters

• Common name: DAC-bispin (5)
• Formula: C36 H52 B2 N2 O6
• Calculated formula: C36 H52 B2 N2 O6
• SMILES: O1C(C(OB1C1(N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C)B1OC(C(O1)(C)C)(C)C)(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: 20.295 ± 0.003 Å
• b: 18.186 ± 0.002 Å
• c: 19.281 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7116.3 ± 1.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0928
• 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