Information card for entry 2022427

Structure parameters

• Common name: Fluoranthene‒tetrafluoroterephthalonitrile (1/1)
• Chemical name: Fluoranthene‒2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile (1/1)
• Formula: C24 H10 F4 N2
• Calculated formula: C24 H10 F4 N2
• 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: 15.4617 ± 0.0012 Å
• b: 7.0577 ± 0.0006 Å
• c: 16.9113 ± 0.0016 Å
• α: 90°
• β: 95.095 ± 0.003°
• γ: 90°
• Cell volume: 1838.1 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• 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: 0.123
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes