Information card for entry 4020736

Structure parameters

• Formula: C32 H30 N2 O6 S2
• Calculated formula: C32 H30 N2 O6 S2
• SMILES: S(=O)(=O)(/N=C(\C(=C/C(=O)OC)C(NS(=O)(=O)c1ccc(cc1)C)c1ccccc1)c1ccccc1)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: 15.3098 ± 0.0013 Å
• b: 15.6606 ± 0.0013 Å
• c: 12.3382 ± 0.001 Å
• α: 90°
• β: 91.245 ± 0.002°
• γ: 90°
• Cell volume: 2957.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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