Information card for entry 7134056

Structure parameters

• Formula: C20 H18 Br2 O6
• Calculated formula: C20 H18 Br2 O6
• Title of publication: Ferric nitrene-promoted anti-Markovnikov ring-opening of epoxides and nucleophilic functionalization of benzylic C-H bonds under photo-irradiation.
• Authors of publication: Hou, Ming; Jia, Mengjie; Qi, Rui; Zhang, Zhide; He, Linli; Bai, Tianwen; Bao, Chen; Qiu, Guanyinsheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 7
• Pages of publication: 1435 - 1438
• a: 10.7195 ± 0.0004 Å
• b: 14.0637 ± 0.0005 Å
• c: 13.2599 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1999.01 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0685
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No