Information card for entry 7100965

Structure parameters

• Formula: C25 H29 N O6 S
• Calculated formula: C25 H29 N O6 S
• SMILES: S(=O)(=O)(N1[C@H]([C@H]1C(=C(\C(=O)OC)C(=O)OC)\CCCC)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1[C@@H]([C@@H]1C(=C(\C(=O)OC)C(=O)OC)\CCCC)c1ccccc1)c1ccc(cc1)C
• Title of publication: NaI-Catalyzed Highly Regioselective Ring-Opening [1+2] Cycloaddition Reaction of Cyclopropenes with Imines. Highly Stereoselective Synthesis of cis-Vinylic Aziridines
• Authors of publication: Shengming Ma; Yangjun Cai; Harong Hou; Xin Jin; Lianghua Lu; Junliang Zhang
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 11.211 ± 0.002 Å
• b: 8.6072 ± 0.0016 Å
• c: 26.662 ± 0.005 Å
• α: 90°
• β: 99.71 ± 0.004°
• γ: 90°
• Cell volume: 2535.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No