Information card for entry 7245348

Structure parameters

• Formula: C15 H20 B N3 O
• Calculated formula: C15 H20 B N3 O
• SMILES: O=C1N(c2c(C[C@H]1[BH2]=C1N(C=CN1C)C)cccc2)C
• Title of publication: A general photo-induced wide-scope regioselective hydroboration of alkenes without using a photocatalyst or an external initiator
• Authors of publication: Miao, Yu-Qi; Li, Xin-Ying; Pan, Qiao-Jing; Ma, Yubin; Kang, Jia-Xin; Ma, Yan-Na; Liu, Zhenxing; Chen, Xuenian
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 7113 - 7121
• a: 6.2427 ± 0.0005 Å
• b: 7.8871 ± 0.0006 Å
• c: 29.178 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1436.63 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No