Information card for entry 1554646

Structure parameters

• Formula: C15 H15 N O2 S
• Calculated formula: C15 H15 N O2 S
• SMILES: S1(=O)(=O)c2c(N(c3c1cccc3)CCC)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: 7.7584 ± 0.0007 Å
• b: 9.0839 ± 0.0008 Å
• c: 10.0043 ± 0.0009 Å
• α: 109.128 ± 0.008°
• β: 97.408 ± 0.008°
• γ: 103.752 ± 0.008°
• Cell volume: 630.4 ± 0.11 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No