Information card for entry 1568233

Structure parameters

• Formula: C60 H54 O12 S6
• Calculated formula: C60 H54 O12 S6
• 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: 20.7715 ± 0.0012 Å
• b: 6.2243 ± 0.0003 Å
• c: 22.3727 ± 0.0012 Å
• α: 90°
• β: 94.032 ± 0.003°
• γ: 90°
• Cell volume: 2885.4 ± 0.3 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: 0.0703
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No