Information card for entry 4516228

Structure parameters

• Formula: C18 H20 N2 O5 S2
• Calculated formula: C18 H20 N2 O5 S2
• SMILES: c12ccccc1C(=O)N(C2=O)SSC[C@@H](C)C(=O)N1CCC[C@H]1C(=O)OC
• Title of publication: Phthalimide-Carried Disulfur Transfer To Synthesize Unsymmetrical Disulfanes via Copper Catalysis
• Authors of publication: Zou, Jiaoxia; Chen, Jinhong; Shi, Tao; Hou, Yongsheng; Cao, Fei; Wang, Yongqiang; Wang, Xiaodong; Jia, Zhong; Zhao, Quanyi; Wang, Zhen
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Pages of publication: 11426
• a: 8.8085 ± 0.001 Å
• b: 10.3259 ± 0.0012 Å
• c: 22.243 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No