Information card for entry 4132599

Structure parameters

• Formula: C35 H46 B N3 O5
• Calculated formula: C35 H46 B N3 O5
• SMILES: [O]1=C(N[C@H](C(C)C)[B]21OC(C)(C)C(O2)(C)C)c1ccccc1.O=C(NC(NC(=O)c1ccccc1)C(C)C)c1ccccc1
• Title of publication: Enantioselective Synthesis of α-Amidoboronates Catalyzed by Planar-Chiral NHC-Cu(I) Complexes.
• Authors of publication: Schwamb, C. Benjamin; Fitzpatrick, Keegan P.; Brueckner, Alexander C.; Richardson, H. Camille; Cheong, Paul H.-Y.; Scheidt, Karl A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10644 - 10648
• a: 10.9592 ± 0.0017 Å
• b: 9.3307 ± 0.0012 Å
• c: 16.2386 ± 0.0019 Å
• α: 90°
• β: 91.805 ± 0.011°
• γ: 90°
• Cell volume: 1659.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0989
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No