Information card for entry 7121855

Structure parameters

• Formula: C44 H42 N2 O4 S2
• Calculated formula: C44 H42 N2 O4 S2
• Title of publication: One-step synthesis of cyclic compounds towards easy room-temperature phosphorescence and deep blue thermally activated delayed fluorescence.
• Authors of publication: Hu, Yingyuan; Wang, Zhenfeng; Jiang, Xiaofang; Cai, Xinyi; Su, Shi-Jian; Huang, Fei; Cao, Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 56
• Pages of publication: 7850 - 7853
• a: 7.2994 ± 0.0002 Å
• b: 9.0319 ± 0.0003 Å
• c: 14.3088 ± 0.0003 Å
• α: 84.935 ± 0.002°
• β: 77.163 ± 0.002°
• γ: 84.614 ± 0.002°
• Cell volume: 913.49 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No