Information card for entry 4021151

Structure parameters

• Formula: C21 H21 N O4 S
• Calculated formula: C21 H21 N O4 S
• SMILES: C(=O)(/C=C1CN(CC(=C/1)c1ccccc1)S(=O)(=O)c1ccc(cc1)C)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: 22.7714 ± 0.0019 Å
• b: 7.0844 ± 0.0006 Å
• c: 12.2938 ± 0.001 Å
• α: 90°
• β: 105 ± 0.002°
• γ: 90°
• Cell volume: 1915.7 ± 0.3 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