Information card for entry 1575525

Structure parameters

• Formula: C66 H51 N3 O3 S3
• Calculated formula: C66 H51 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: 13.1113 ± 0.0004 Å
• b: 18.0607 ± 0.0004 Å
• c: 23.3276 ± 0.0006 Å
• α: 90°
• β: 105.099 ± 0.002°
• γ: 90°
• Cell volume: 5333.3 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• 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: 0.1278
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2244
• Weighted residual factors for all reflections included in the refinement: 0.2736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No