Information card for entry 1553926

Structure parameters

• Formula: C33 H33 N3 O4 S2
• Calculated formula: C33 H33 N3 O4 S2
• SMILES: S(=O)(=O)(N1[C@H]2[C@@H]([C@@H]3c4c(N([C@H]13)CCN(S(=O)(=O)c1ccc(cc1)C)C2)cccc4)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1[C@@H]2[C@H]([C@H]3c4c(N([C@@H]13)CCN(S(=O)(=O)c1ccc(cc1)C)C2)cccc4)c1ccccc1)c1ccc(cc1)C
• 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: 33.342 ± 0.003 Å
• b: 14.1163 ± 0.0013 Å
• c: 13.8882 ± 0.0014 Å
• α: 90°
• β: 113.533 ± 0.002°
• γ: 90°
• Cell volume: 5993 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0784
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No