Information card for entry 4032187

Structure parameters

• Formula: C18 H14 I N O5 S
• Calculated formula: C18 H14 I N O5 S
• SMILES: I[C@]1(N2S(=O)(=O)c3c([C@@]12C(=O)OCC)cccc3)C(=O)c1ccccc1
• Title of publication: Asymmetric Aziridination of N-Sulphonyl Ketimines with Unfunctionalized Ketones: A One-pot Approach to Multisubstituted Fused Aziridines.
• Authors of publication: Zhang, Sheng; Li, Lijun; Xin, Lilan; Liu, Wenmin; Xu, Kun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 5
• Pages of publication: 2399 - 2406
• a: 7.2554 ± 0.0001 Å
• b: 15.7659 ± 0.0003 Å
• c: 16.4944 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1886.76 ± 0.06 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0852
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No