Information card for entry 7237403

Structure parameters

• Common name: 9ACA-TFP
• Chemical name: 9-acetylanthracene-tetrafluoroterephthalonitrile
• Formula: C40 H24 F4 N2 O2
• Calculated formula: C40 H24 F4 N2 O2
• Title of publication: Tunable luminescence of a novel organic co-crystal based on intermolecular charge transfer under pressure
• Authors of publication: Wang, Jing; Li, Aisen; Xu, Shuping; Li, Bao; Song, Chongping; Geng, Yijia; Chu, Ning; He, Jian; Xu, Weiqing
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 33
• Pages of publication: 8958
• a: 11.6109 ± 0.0004 Å
• b: 10.4279 ± 0.0004 Å
• c: 13.0037 ± 0.0005 Å
• α: 90°
• β: 95.052 ± 0.001°
• γ: 90°
• Cell volume: 1568.34 ± 0.1 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 119 K
• Number of distinct elements: 5
• 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: 0.1001
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No