Information card for entry 4025641

Structure parameters

• Formula: C27 H27 N O3 S
• Calculated formula: C27 H27 N O3 S
• SMILES: c1(ccc(C)cc1)S(=O)(=O)N1C[C@@H]([C@@H](C1)C(=O)c1ccccc1)/C=C/Cc1ccccc1.c1(ccc(C)cc1)S(=O)(=O)N1C[C@H]([C@H](C1)C(=O)c1ccccc1)/C=C/Cc1ccccc1
• Title of publication: Synthesis of cis-3-Acyl-4-alkenylpyrrolidines via Gold(I)-Catalyzed Cycloisomerization Reaction of (Z)-8-Aryl-5-tosyl-5-azaoct-2-en-7-yn-1-ols
• Authors of publication: Ming-Chang P. Yeh; Ming-Nan Lin; Wei-Jong Chang; Jia-Lun Liou; Ya-Fon Shih
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 6031 - 6034
• a: 10.5177 ± 0.0002 Å
• b: 8.3547 ± 0.0002 Å
• c: 26.6108 ± 0.0007 Å
• α: 90°
• β: 94.834 ± 0.001°
• γ: 90°
• Cell volume: 2330.03 ± 0.09 ų
• 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
• Residual factor for all reflections: 0.1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No