Information card for entry 1571533

Structure parameters

• Formula: C38 H26 N O P
• Calculated formula: C38 H26 N O P
• Title of publication: Achieving pure room temperature phosphorescence (RTP) in phenoselenazine-based organic emitters through synergism among heavy atom effect, enhanced n → π* transitions and magnified electron coupling by the A-D-A molecular configuration.
• Authors of publication: Zhong, Daokun; Liu, Siqi; Yue, Ling; Feng, Zhao; Wang, Hongyan; Yang, Peng; Su, Bochao; Yang, Xiaolong; Sun, Yuanhui; Zhou, Guijiang
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9112 - 9119
• a: 15.256 ± 0.012 Å
• b: 8.189 ± 0.006 Å
• c: 22.995 ± 0.017 Å
• α: 90°
• β: 93.293 ± 0.008°
• γ: 90°
• Cell volume: 2868 ± 4 ų
• 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: 0.132
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No