Information card for entry 4020734

Structure parameters

• Formula: C22 H21 N O6 S
• Calculated formula: C22 H21 N O6 S
• SMILES: S(=O)(=O)(N1C=C(C(C(=C1)C(=O)OC)c1ccccc1)C(=O)OC)c1ccc(cc1)C
• Title of publication: Aza-Baylis-Hillman Reactions of N-Tosylated Aldimines with Activated Allenes and Alkynes in the Presence of Various Lewis Base Promoters
• Authors of publication: Gui-Ling Zhao; Min Shi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 9975 - 9984
• a: 10.1562 ± 0.0008 Å
• b: 10.4485 ± 0.0008 Å
• c: 19.7286 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2093.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No