Information card for entry 1554645

Structure parameters

• Formula: C18 H21 N O2 S
• Calculated formula: C18 H21 N O2 S
• SMILES: c12ccccc1S(=O)(=O)c1c(cccc1)N2CCCCCC
• 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: 26.477 ± 0.007 Å
• b: 26.477 ± 0.007 Å
• c: 12.475 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7574 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No