Information card for entry 4020818

Structure parameters

• Formula: C23 H30 N2 O4 S
• Calculated formula: C23 H30 N2 O4 S
• SMILES: S1(=O)(=O)N([C@H]2[C@@]3(CC[C@H](C2)C3(C)C)C1)C(=O)[C@@H](NOCc1ccccc1)[C@@H](C)C#C
• Title of publication: Palladium-Indium Iodide-Mediated Allylation and Propargylation of Glyoxylic Oxime Ether and Hydrazone: The Role of Water in Directing the Diastereoselective Allylation
• Authors of publication: Hideto Miyabe; Yousuke Yamaoka; Takeaki Naito; Yoshiji Takemoto
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 1415 - 1418
• a: 15.952 ± 0.002 Å
• b: 18.974 ± 0.001 Å
• c: 7.667 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2320.8 ± 0.7 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