Information card for entry 4517300

Structure parameters

• Formula: C27 H16 Cl N5
• Calculated formula: C27 H16 Cl N5
• SMILES: c1(Cl)nc(nc(n1)n1c2ccccc2c2ccccc12)n1c2ccccc2c2ccccc12
• Title of publication: Effect of Carbazolyl Groups on Photophysical Properties of Cyanuric Chloride.
• Authors of publication: Gao, Weichen; Su, Yan; Wang, Zhonghao; Zhang, Yongfeng; Zhang, Dan; Jia, Peng; Yang, Chaolong; Li, Youbing; Ganguly, Rakesh; Zhao, Yanli
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 50
• Pages of publication: 47162 - 47169
• a: 22.4205 ± 0.0004 Å
• b: 3.8584 ± 0.00007 Å
• c: 46.0494 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3983.61 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1512
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No