Information card for entry 1575524

Structure parameters

• Formula: C60 H45 N3 O3 S3
• Calculated formula: C60 H45 N3 O3 S3
• Title of publication: Cyclization-enhanced photoactivatable reversible room-temperature phosphorescence for efficient real-time light printing.
• Authors of publication: Sun, Yonghui; Shu, Yuqing; Zheng, Li; Song, Yufei; Huang, Baotong; Xu, Xiufang; Chen, Haohua; Chang, Junbiao; Xin, Pengyang
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17812 - 17819
• a: 10.7606 ± 0.0005 Å
• b: 24.5346 ± 0.001 Å
• c: 22.9833 ± 0.001 Å
• α: 90°
• β: 92.905 ± 0.002°
• γ: 90°
• Cell volume: 6060 ± 0.5 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1019
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.3058
• Weighted residual factors for all reflections included in the refinement: 0.315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No