Information card for entry 1568227

Structure parameters

• Formula: C42 H30 S6
• Calculated formula: C42 H30 S6
• SMILES: c1(c(c(Sc2ccccc2)c(c(c1Sc1ccccc1)Sc1ccccc1)Sc1ccccc1)Sc1ccccc1)Sc1ccccc1
• 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: 9.6077 ± 0.0002 Å
• b: 10.2863 ± 0.0002 Å
• c: 10.6653 ± 0.0002 Å
• α: 68.438 ± 0.001°
• β: 76.888 ± 0.001°
• γ: 65.477 ± 0.001°
• Cell volume: 888.39 ± 0.03 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No