Information card for entry 1554643

Structure parameters

• Formula: C13 H11 N O2 S
• Calculated formula: C13 H11 N O2 S
• SMILES: S1(=O)(=O)c2ccccc2N(c2c1cccc2)C
• 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: 8.78316 ± 0.00019 Å
• b: 11.4642 ± 0.0002 Å
• c: 11.1048 ± 0.0002 Å
• α: 90°
• β: 91.3006 ± 0.0019°
• γ: 90°
• Cell volume: 1117.88 ± 0.04 ų
• Cell temperature: 295.04 ± 0.1 K
• Ambient diffraction temperature: 295.04 ± 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: 0.0768
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No