Information card for entry 4021149

Structure parameters

• Formula: C16 H19 N O4 S
• Calculated formula: C16 H19 N O4 S
• SMILES: C(=C\1CN(CC(=C1)C)S(=O)(=O)c1ccc(cc1)C)\C(=O)OC
• Title of publication: Palladium(0)-Catalyzed Cyclization of Electron-Deficient Enynes and Enediynes
• Authors of publication: Yoshihiko Yamamoto; Shoji Kuwabara; Yoji Ando; Hitomi Nagata; Hisao Nishiyama; Kenji Itoh
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 6697 - 6705
• a: 7.8742 ± 0.0005 Å
• b: 10.9568 ± 0.0007 Å
• c: 18.8676 ± 0.0013 Å
• α: 90°
• β: 95.066 ± 0.001°
• γ: 90°
• Cell volume: 1621.46 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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