Information card for entry 1568229

Structure parameters

• Formula: C20 H14 F4 S2
• Calculated formula: C20 H14 F4 S2
• SMILES: c1(c(c(F)c(c(c1F)F)Sc1ccc(cc1)C)F)Sc1ccc(cc1)C
• Title of publication: Making multi-twisted luminophores produce persistent room-temperature phosphorescence.
• Authors of publication: Shen, Shen; Baryshnikov, Glib V.; Xie, Qishan; Wu, Bin; Lv, Meng; Sun, Hao; Li, Zhongyu; Ågren, Hans; Chen, Jinquan; Zhu, Liangliang
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 970 - 978
• a: 15.1661 ± 0.0008 Å
• b: 4.8806 ± 0.0003 Å
• c: 11.4983 ± 0.0006 Å
• α: 90°
• β: 93.913 ± 0.002°
• γ: 90°
• Cell volume: 849.12 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0317
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No