Information card for entry 7237832

Structure parameters

• Formula: C13 H12 O3 S
• Calculated formula: C13 H12 O3 S
• Title of publication: Achievement of persistent and efficient organic room-temperature phosphorescence with temperature-response by adjusting the proportion of excited-state configurations in coupled molecules
• Authors of publication: Chen, Junru; Rahman, Naveed Ur; Mao, Zhu; Zhao, Juan; Yang, Zhiyong; Liu, Siwei; Zhang, Yi; Chi, Zhenguo
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 27
• Pages of publication: 8250
• a: 13.9202 ± 0.0007 Å
• b: 8.0462 ± 0.0004 Å
• c: 11.373 ± 0.0005 Å
• α: 90°
• β: 105.687 ± 0.005°
• γ: 90°
• Cell volume: 1226.38 ± 0.11 ų
• Cell temperature: 290 ± 0.1 K
• Ambient diffraction temperature: 290 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No