Information card for entry 7225839

Structure parameters

• Formula: C17 H8 Br2 F4 O2
• Calculated formula: C17 H8 Br2 F4 O2
• Title of publication: Greener solid-state synthesis: stereo-selective [2 + 2] photodimerization of vitamin K3controlled by halogen bonding
• Authors of publication: Zhu, Bingqing; Wang, Jian-Rong; Zhang, Qi; Mei, Xuefeng
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 34
• Pages of publication: 6327
• a: 3.8981 ± 0.0003 Å
• b: 13.3018 ± 0.001 Å
• c: 15.2307 ± 0.0011 Å
• α: 93.626 ± 0.003°
• β: 96.888 ± 0.003°
• γ: 93.357 ± 0.004°
• Cell volume: 780.72 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0511
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No