Information card for entry 4020737

Structure parameters

• Formula: C27 H25 N O4 S
• Calculated formula: C27 H25 N O4 S
• SMILES: S(=O)(=O)(N1C(C(=CC=C1c1ccccc1)C(=O)OCC)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: 7.6675 ± 0.0008 Å
• b: 13.814 ± 0.0015 Å
• c: 22.914 ± 0.003 Å
• α: 92.491 ± 0.002°
• β: 93.885 ± 0.002°
• γ: 98.992 ± 0.002°
• Cell volume: 2388.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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