Information card for entry 7245347

Structure parameters

• Formula: C20 H33 B N2 S
• Calculated formula: C20 H33 B N2 S
• SMILES: S(c1c(cc(C(C)C)cc1C(C)C)C(C)C)[BH2]=C1N(C=CN1C)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: 7.8039 ± 0.0002 Å
• b: 17.1774 ± 0.0004 Å
• c: 14.8916 ± 0.0003 Å
• α: 90°
• β: 91.57 ± 0.002°
• γ: 90°
• Cell volume: 1995.48 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No