Information card for entry 4133922

Structure parameters

• Formula: C22 H26 B N O3
• Calculated formula: C22 H26 B N O3
• SMILES: O1C(C(OB1c1ccc(cc1)CC(=O)N1c2c(cccc2)CC1)(C)C)(C)C
• Title of publication: Visible Light-Induced Borylation of C-O, C-N, and C-X Bonds.
• Authors of publication: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; He, Ru; Nguyen, Viet D.; Nguyen, Vu T.; Arman, Hadi D.; Schanze, Kirk S.; Larionov, Oleg V.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 3
• Pages of publication: 1603 - 1613
• a: 9.1074 ± 0.0006 Å
• b: 10.4748 ± 0.0006 Å
• c: 11.1129 ± 0.0007 Å
• α: 90.07 ± 0.005°
• β: 103.031 ± 0.005°
• γ: 112.623 ± 0.006°
• Cell volume: 948.81 ± 0.11 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No