Information card for entry 1550021

Structure parameters

• Chemical name: 3M
• Formula: C27 H23 N O2 S
• Calculated formula: C27 H23 N O2 S
• SMILES: S(=O)(=O)(c1ccc(n2c3c(c4c2cccc4)cccc3)cc1)c1c(cc(cc1C)C)C
• Title of publication: Methylation-effect in Prolonging the Pure Organic Room Temperature Phosphorescence Lifetime
• Authors of publication: Mao, Zhu; Yang, Zhan; Fan, Zhenguo; Ubba, Eethamukkala; Li, Wenlang; Li, Yang; Zhao, Juan; Yang, Zhiyong; Aldred, Matthew Phillip; Chi, Zhenguo
• Journal of publication: Chemical Science
• Year of publication: 2018
• a: 21.0963 ± 0.0007 Å
• b: 12.9096 ± 0.0003 Å
• c: 15.8774 ± 0.0004 Å
• α: 90°
• β: 101.148 ± 0.003°
• γ: 90°
• Cell volume: 4242.5 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0417
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No