Information card for entry 1554642

Structure parameters

• Formula: C14 H13 N O2 S
• Calculated formula: C14 H13 N O2 S
• SMILES: S1(=O)(=O)c2c(N(c3c1cccc3)CC)cccc2
• Title of publication: The odd‒even effect of alkyl chain in organic room temperature phosphorescence luminogens and the corresponding in vivo imaging
• Authors of publication: Yang, Jie; Gao, Heqi; Wang, Yunsheng; Yu, Yun; Gong, Yanbin; Fang, Manman; Ding, Dan; Hu, Wenping; Tang, Ben Zhong; Li, Zhen
• Journal of publication: Materials Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 1391
• a: 7.9027 ± 0.0003 Å
• b: 11.1576 ± 0.0004 Å
• c: 13.5298 ± 0.0006 Å
• α: 90°
• β: 93.338 ± 0.004°
• γ: 90°
• Cell volume: 1190.97 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• 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: 0.0528
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No