Information card for entry 4032234

Structure parameters

• Formula: C20 H23 N O3 S
• Calculated formula: C20 H23 N O3 S
• SMILES: S(=O)(=O)(N1[C@H]2[C@@H](OC1(C)C)c1ccccc1CC2)c1ccc(cc1)C.S(=O)(=O)(N1[C@@H]2[C@H](OC1(C)C)c1ccccc1CC2)c1ccc(cc1)C
• Title of publication: Photoredox-Induced Functionalization of Alkenes for the Synthesis of Substituted Imidazolines and Oxazolidines.
• Authors of publication: Chen, Jian-Qiang; Yu, Wan-Lei; Wei, Yun-Long; Li, Teng-Hui; Xu, Peng-Fei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 1
• Pages of publication: 243 - 249
• a: 35.044 ± 0.002 Å
• b: 8.284 ± 0.0006 Å
• c: 12.6899 ± 0.0007 Å
• α: 90°
• β: 98.376 ± 0.005°
• γ: 90°
• Cell volume: 3644.6 ± 0.4 ų
• Cell temperature: 292.81 ± 0.1 K
• Ambient diffraction temperature: 292.81 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No