Information card for entry 1575526

Structure parameters

• Formula: C57 H39 N3 O3 S3
• Calculated formula: C57 H39 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: 12.6976 ± 0.0003 Å
• b: 37.9408 ± 0.0008 Å
• c: 13.6528 ± 0.0003 Å
• α: 90°
• β: 104.772 ± 0.001°
• γ: 90°
• Cell volume: 6359.9 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No