Information card for entry 7132803

Structure parameters

• Formula: C19 H17 Br O2
• Calculated formula: C19 H17 Br O2
• Title of publication: Metal-free β,γ-C(sp³)-H difunctionalization of propanols: DMP-initiated asymmetric spirocyclopropanation.
• Authors of publication: Li, Zheyao; Zhang, Huiwen; Zhao, Lin; Ma, Yueyue; Wu, Qiufang; Ren, Haosong; Lin, Zhongren; Zheng, Jun; Yu, Xinhong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 26
• Pages of publication: 3579 - 3582
• a: 7.1586 ± 0.0008 Å
• b: 11.9651 ± 0.0014 Å
• c: 18.845 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0708
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No