Information card for entry 4021152

Structure parameters

• Formula: C42 H21 N2 O8 S2
• Calculated formula: C42 H42 N2 O8 S2
• SMILES: C(=O)(/C=C\1CN(C=C(C1)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: 11.5464 ± 0.0007 Å
• b: 12.6654 ± 0.0007 Å
• c: 13.7559 ± 0.0008 Å
• α: 76.689 ± 0.001°
• β: 78.49 ± 0.001°
• γ: 76.086 ± 0.001°
• Cell volume: 1877.91 ± 0.19 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: Yes
• Has Fobs: No