Information card for entry 7225666

Structure parameters

• Formula: C24 H19 Cl N2 O6 S
• Calculated formula: C24 H19 Cl N2 O6 S
• SMILES: S1(=O)(=O)N2[C@](c3c1ccc(Cl)c3)(c1ccccc1)C(=C(N1[C@H]2C=CC=C1)C(=O)OC)C(=O)OC.S1(=O)(=O)N2[C@@](c3c1ccc(Cl)c3)(c1ccccc1)C(=C(N1[C@@H]2C=CC=C1)C(=O)OC)C(=O)OC
• Title of publication: Diastereoselective synthesis of highly functionalized polycyclic benzosultams via tandem cyclisations of cyclic N-sulfonylimines with in situ generated Huisgen 1,4-dipoles
• Authors of publication: Zhao, Hongwu; Chen, Xiao-Qin; Pang, Hai-Liang; Tian, Ting; Li, Bo; song, xiuqing; Meng, Wei; Yang, Zhao; Zhao, Yu-Di; Liu, Yue-Yang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.827 ± 0.0017 Å
• b: 13.849 ± 0.002 Å
• c: 14.496 ± 0.002 Å
• α: 90°
• β: 90.488 ± 0.005°
• γ: 90°
• Cell volume: 2173.5 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No