Information card for entry 1543626

Structure parameters

• Formula: C8 H7 N O3 S
• Calculated formula: C8 H7 N O3 S
• SMILES: S1CCn2c(=O)cc(C(=O)O)cc12
• Title of publication: Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores.
• Authors of publication: Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing
• Journal of publication: Nanoscale
• Year of publication: 2016
• Journal volume: 8
• Journal issue: 30
• Pages of publication: 14374 - 14378
• a: 8.082 ± 0.004 Å
• b: 11.9 ± 0.006 Å
• c: 18.387 ± 0.009 Å
• α: 96.689 ± 0.007°
• β: 97.921 ± 0.008°
• γ: 102.152 ± 0.008°
• Cell volume: 1692.8 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0813
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No