Information card for entry 1569707

Structure parameters

• Chemical name: benzo[5',6'][1,4]dioxino[2',3':4,5]benzo[1,2-c][1,2,5]thiadiazole
• Formula: C12 H6 N2 O2 S
• Calculated formula: C12 H6 N2 O2 S
• Title of publication: A functional unit combination strategy for enhancing red room-temperature phosphorescence.
• Authors of publication: Zhao, Shuaiqiang; Yang, Zhiqiang; Zhang, Xiangyu; Liu, Haichao; Lv, Yingbo; Wang, Shiyin; Yang, Zhongzhao; Zhang, Shi-Tong; Yang, Bing
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 36
• Pages of publication: 9733 - 9743
• a: 22.528 ± 0.003 Å
• b: 3.9061 ± 0.0004 Å
• c: 22.895 ± 0.003 Å
• α: 90°
• β: 96.977 ± 0.01°
• γ: 90°
• Cell volume: 1999.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No