Information card for entry 4128359

Structure parameters

• Formula: C3 H5 Li2 N3 O5
• Calculated formula: C3 H5 Li2 N3 O5
• 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: 3.4142 ± 0.0018 Å
• b: 16.974 ± 0.011 Å
• c: 11.176 ± 0.008 Å
• α: 90°
• β: 90.92 ± 0.02°
• γ: 90°
• Cell volume: 647.6 ± 0.7 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No