Information card for entry 4133921

Structure parameters

• Formula: C14 H18 B N O2
• Calculated formula: C14 H18 B N O2
• SMILES: O1C(C(OB1c1c2c([nH]cc2)ccc1)(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: 20.3444 ± 0.0005 Å
• b: 9.5619 ± 0.0002 Å
• c: 13.8608 ± 0.0003 Å
• α: 90°
• β: 103.721 ± 0.002°
• γ: 90°
• Cell volume: 2619.41 ± 0.1 ų
• Cell temperature: 98 ± 3 K
• Ambient diffraction temperature: 98 ± 3 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No