Information card for entry 2022428

Structure parameters

• Common name: Fluoranthene‒octafluoronaphthalene (1/1)
• Chemical name: Fluoranthene‒1,2,3,4,5,6,7,8-octafluoronaphthalene (1/1)
• Formula: C26 H10 F8
• Calculated formula: C26 H10 F8
• SMILES: Fc1c2c(c(F)c(F)c1F)c(F)c(F)c(F)c2F.c1c2c(c3c4c2cccc4ccc3)ccc1
• 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: 6.773 ± 0.001 Å
• b: 14.323 ± 0.002 Å
• c: 10.02 ± 0.0014 Å
• α: 90°
• β: 99.732 ± 0.004°
• γ: 90°
• Cell volume: 958 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.1449
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes