Information card for entry 7249659

Structure parameters

• Formula: C11 H14 N4 O3
• Calculated formula: C11 H14 N4 O3
• Title of publication: Chiral-driven formation of hybrid cyanurates with large birefringence
• Authors of publication: Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 30 - 37
• a: 15.9636 ± 0.0003 Å
• b: 6.6463 ± 0.0001 Å
• c: 11.5269 ± 0.0002 Å
• α: 90°
• β: 98.41 ± 0.002°
• γ: 90°
• Cell volume: 1209.84 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0437
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No