Information card for entry 4020735

Structure parameters

• Formula: C35 H36 N2 O7 S2
• Calculated formula: C35 H36 N2 O7 S2
• SMILES: S(=O)(=O)(N1[C@H](C(=C[C@]1(NS(=O)(=O)c1ccc(cc1)C)c1ccccc1)C(=O)OC)c1ccccc1)c1ccc(cc1)C.O=C(C)C.S(=O)(=O)(N1[C@@H](C(=C[C@@]1(NS(=O)(=O)c1ccc(cc1)C)c1ccccc1)C(=O)OC)c1ccccc1)c1ccc(cc1)C.O=C(C)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: 11.5923 ± 0.0008 Å
• b: 17.0433 ± 0.0012 Å
• c: 17.9971 ± 0.0013 Å
• α: 90°
• β: 108.321 ± 0.002°
• γ: 90°
• Cell volume: 3375.5 ± 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No