Information card for entry 4021153

Structure parameters

• Formula: C21 H21 N O4 S
• Calculated formula: C21 H21 N O4 S
• SMILES: O=C(OC)/C=C1/C(=C/c2ccccc2)CN(S(=O)(=O)c2ccc(cc2)C)C1
• 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: 8.3786 ± 0.0008 Å
• b: 10.0236 ± 0.0009 Å
• c: 11.8815 ± 0.0011 Å
• α: 72.928 ± 0.002°
• β: 82.031 ± 0.002°
• γ: 88.454 ± 0.002°
• Cell volume: 944.57 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No