Information card for entry 4021154

Structure parameters

• Formula: C17 H17 N O5 S
• Calculated formula: C17 H17 N O5 S
• SMILES: c1cc2c(C(=C/C(=O)OC)/CN(C2)S(=O)(=O)c2ccc(cc2)C)o1
• 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: 15.5582 ± 0.0011 Å
• b: 6.2066 ± 0.0004 Å
• c: 17.6759 ± 0.0012 Å
• α: 90°
• β: 103.869 ± 0.002°
• γ: 90°
• Cell volume: 1657.09 ± 0.19 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