Information card for entry 4515288

Structure parameters

• Formula: C28 H14 N4
• Calculated formula: C28 H14 N4
• SMILES: C(#N)C(C#N)=C1C=CC(=C(C#N)C#N)C=C1.c1c2c3c(cc1)ccc1cccc(c31)cc2
• 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: 6.9996 ± 0.0007 Å
• b: 10.0807 ± 0.001 Å
• c: 14.6724 ± 0.0015 Å
• α: 90°
• β: 103.567 ± 0.001°
• γ: 90°
• Cell volume: 1006.41 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No