Information card for entry 4134882

Structure parameters

• Formula: C8 H12 D F6 N3 O4 S2
• Calculated formula: C8 H12 D F6 N3 O4 S2
• Title of publication: Bistable State of Protons for Low-Voltage Memories.
• Authors of publication: Song, Xian-Jiang; Zhang, Zhi-Xu; Chen, Xiao-Gang; Zhang, Han-Yue; Pan, Qiang; Yao, Jie; You, Yu-Meng; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.542 ± 0.004 Å
• b: 16.952 ± 0.006 Å
• c: 15.994 ± 0.005 Å
• α: 90°
• β: 113.037 ± 0.004°
• γ: 90°
• Cell volume: 3129.3 ± 1.8 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2375
• Weighted residual factors for all reflections included in the refinement: 0.2689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No