Information card for entry 1570102

Structure parameters

• Formula: C7 H15 B Cl N
• Calculated formula: C7 H15 B Cl N
• Title of publication: Programmable synthesis of difluorinated hydrocarbons from alkenes through a photocatalytic linchpin strategy.
• Authors of publication: Zhang, Zhi-Qi; Wang, Cheng-Qiang; Li, Long-Ji; Piper, Jared L.; Peng, Zhi-Hui; Ma, Jun-An; Zhang, Fa-Guang; Wu, Jie
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 41
• Pages of publication: 11546 - 11553
• a: 12.9872 ± 0.0008 Å
• b: 12.2112 ± 0.0007 Å
• c: 10.7243 ± 0.0006 Å
• α: 90°
• β: 91.52 ± 0.002°
• γ: 90°
• Cell volume: 1700.16 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0438
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No