Information card for entry 4132426

Structure parameters

• Formula: C11 H16 N6 O6
• Calculated formula: C11 H16 N6 O6
• SMILES: O=C([O-])c1cc(C(=O)O)ccc1.O.O.n1c(nc([nH+]c1N)N)N
• Title of publication: Simultaneously Enhancing Efficiency and Lifetime of Ultralong Organic Phosphorescence Materials by Molecular Self-Assembly.
• Authors of publication: Bian, Lifang; Shi, Huifang; Wang, Xuan; Ling, Kun; Ma, Huili; Li, Mengping; Cheng, Zhichao; Ma, Chaoqun; Cai, Suzhi; Wu, Qi; Gan, Nan; Xu, Xiangfei; An, Zhongfu; Huang, Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 34
• Pages of publication: 10734 - 10739
• a: 7.076 ± 0.002 Å
• b: 9.231 ± 0.003 Å
• c: 12.242 ± 0.004 Å
• α: 95.341 ± 0.007°
• β: 105.299 ± 0.007°
• γ: 97.97 ± 0.008°
• Cell volume: 756.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No