Information card for entry 4517642

Structure parameters

• Formula: C16 H18 N4
• Calculated formula: C16 H18 N4
• SMILES: N1(c2c(N([C@H]3[C@H]1CCCC3)C)cc(c(c2)C#N)C#N)C
• Title of publication: Multi-color Circularly Polarized Photoluminescence and Electroluminescence with 1,2-Diaminecyclohexane Enantiomers.
• Authors of publication: Luo, Xu-Feng; Han, Hua-Bo; Yan, Zhi-Ping; Wu, Zheng-Guang; Su, Jian; Zou, Jian-Wei; Zhu, Zi-Qi; Zheng, You-Xuan; Zuo, Jing-Lin
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2020
• a: 10.509 ± 0.002 Å
• b: 8.293 ± 0.002 Å
• c: 15.916 ± 0.003 Å
• α: 90 ± 0.03°
• β: 93.31 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 1384.8 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.694
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No