Information card for entry 1553924

Structure parameters

• Formula: C35 H37 Cl2 N3 O4 S2
• Calculated formula: C35 H37 Cl2 N3 O4 S2
• SMILES: S(=O)(=O)(N1[C@@H]2[C@H]([C@]3(c4c(N([C@@H]13)CCN(S(=O)(=O)c1ccc(cc1)C)C2)cccc4)C)c1ccccc1)c1ccc(cc1)C.ClCCl.S(=O)(=O)(N1[C@H]2[C@@H]([C@@]3(c4c(N([C@H]13)CCN(S(=O)(=O)c1ccc(cc1)C)C2)cccc4)C)c1ccccc1)c1ccc(cc1)C.ClCCl
• Title of publication: Indium(iii)-catalyzed intramolecular dearomative cycloaddition ofN-sulfonylaziridines to indoles: facile synthesis of tetracyclic pyrroloindoline skeletons
• Authors of publication: Cao, Bo; Wei, Yin; Shi, Min
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 423
• a: 8.616 ± 0.004 Å
• b: 21.777 ± 0.009 Å
• c: 18.552 ± 0.008 Å
• α: 90°
• β: 100.259 ± 0.009°
• γ: 90°
• Cell volume: 3425 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1275
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No