Information card for entry 4128358

Structure parameters

• Formula: C3 H N3 O3 Rb2
• Calculated formula: C3 H N3 O3 Rb2
• SMILES: c1(nc([O-])nc(=O)[nH]1)[O-].[Rb+].[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: 13.429 ± 0.003 Å
• b: 6.695 ± 0.002 Å
• c: 7.259 ± 0.002 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 652.6 ± 0.3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No