Information card for entry 1568234

Structure parameters

• Formula: C42 H36 F2 O8 S4
• Calculated formula: C42 H36 F2 O8 S4
• SMILES: c1(c(F)c(c(c(c1Sc1ccc(cc1)C(=O)OCC)F)Sc1ccc(cc1)C(=O)OCC)Sc1ccc(C(=O)OCC)cc1)Sc1ccc(cc1)C(=O)OCC
• 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: 5.6192 ± 0.0005 Å
• b: 8.2941 ± 0.0008 Å
• c: 21.138 ± 0.002 Å
• α: 79.178 ± 0.004°
• β: 84.757 ± 0.004°
• γ: 89.326 ± 0.004°
• Cell volume: 963.58 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No