Information card for entry 7130680

Structure parameters

• Formula: C6 H12 N2 O2
• Calculated formula: C6 H12 N2 O2
• Title of publication: Guest-activated Quaternary Ammonium Salt Hosts Emit Room Temperature Phosphorescence
• Authors of publication: Xu, Xinyue; Chen, Zehang; Lei, yunxiang; Sun, Xinyu; Liu, Miaochang; Wu, Huayue; Huang, Xiaobo
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.1897 ± 0.0015 Å
• b: 16.131 ± 0.004 Å
• c: 14.212 ± 0.004 Å
• α: 90°
• β: 90.346 ± 0.009°
• γ: 90°
• Cell volume: 1419 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1122
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No