Information card for entry 4134879

Structure parameters

• Formula: C16 H24 D2 F12 N6 O8 S4
• Calculated formula: C16 H24 D2 F12 N6 O8 S4
• 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: 12.652 ± 0.006 Å
• b: 17.037 ± 0.01 Å
• c: 16.19 ± 0.009 Å
• α: 90°
• β: 112.834 ± 0.011°
• γ: 90°
• Cell volume: 3216 ± 3 ų
• Cell temperature: 338 ± 2 K
• Ambient diffraction temperature: 338 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.194
• Residual factor for significantly intense reflections: 0.1479
• Weighted residual factors for significantly intense reflections: 0.4149
• Weighted residual factors for all reflections included in the refinement: 0.4492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No