Information card for entry 4515289

Structure parameters

• Formula: C28 H10 F4 N4
• Calculated formula: C28 H10 F4 N4
• SMILES: C(#N)C(C#N)=C1C(=C(F)C(=C(C#N)C#N)C(=C1F)F)F.c1cc2c3c4c(ccc3ccc2)cccc14
• Title of publication: Anisotropic Magnetoelectric Coupling and Cotton-Mouton Effects in the Organic Magnetic Charge-Transfer Complex Pyrene-F₄TCNQ.
• Authors of publication: Yang, Yuying; Liu, Guangfeng; Liu, Jie; Wei, Mengmeng; Wang, Zhongxuan; Hao, Xiaotao; Maheswar Repaka, D. V.; Ramanujan, Raju V.; Tao, Xutang; Qin, Wei; Zhang, Qichun
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 51
• Pages of publication: 44654 - 44659
• a: 6.5612 ± 0.0015 Å
• b: 18.654 ± 0.004 Å
• c: 8.5145 ± 0.0019 Å
• α: 90°
• β: 99.983 ± 0.003°
• γ: 90°
• Cell volume: 1026.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No