Information card for entry 4128360

Structure parameters

• Formula: C3 H4 Cs0 Li N3 O5 Rb
• Calculated formula: C3 H4 Li N3 O5 Rb
• Title of publication: How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates.
• Authors of publication: Lu, Jing; Lian, Yu-Kun; Xiong, Lin; Wu, Qian-Ru; Zhao, Min; Shi, Ke-Xin; Chen, Ling; Wu, Li-Ming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 40
• Pages of publication: 16151 - 16159
• a: 15.689 ± 0.003 Å
• b: 3.7585 ± 0.0008 Å
• c: 12.759 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 752.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No