Information card for entry 2022426

Structure parameters

• Common name: Fluoranthene‒1,2,4,5-tetracyanobenzene (1/1)
• Chemical name: Fluoranthene‒benzene-1,2,4,5-tetracarbonitrile (1/1)
• Formula: C26 H12 N4
• Calculated formula: C26 H12 N4
• SMILES: N#Cc1cc(c(cc1C#N)C#N)C#N.c12c3c4c(c1cccc2ccc3)cccc4
• Title of publication: Synthesis of luminescent cocrystals based on fluoranthene and the analysis of weak interactions and photophysical properties
• Authors of publication: Wu, Pengfei; Zhou, Long; Xia, Shuwei; Yu, Liangmin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 7.3192 ± 0.0014 Å
• b: 8.2802 ± 0.0008 Å
• c: 31.3093 ± 0.0004 Å
• α: 90°
• β: 90.162 ± 0.002°
• γ: 90°
• Cell volume: 1897.5 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 3
• 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: 0.1332
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1377
• 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: Yes