Information card for entry 4021073

Structure parameters

• Formula: C23 H25 N O2 S2
• Calculated formula: C23 H25 N O2 S2
• SMILES: C1[C@@H](c2ccccc2)N2C(=O)C[C@@H](C[C@H]2O1)C1(c2ccccc2)SCCCS1
• Title of publication: Conjugate Additions to Phenylglycinol-Derived Unsaturated δ-Lactams. Enantioselective Synthesis of Uleine Alkaloids
• Authors of publication: Amat, Mercedes; Pérez, Maria; Llor, Núria; Escolano, Carmen; Luque, F. Javier; Molins, Elies; Bosch, Joan
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Journal issue: 25
• Pages of publication: 8681 - 8693
• a: 22.837 ± 0.004 Å
• b: 6.394 ± 0.002 Å
• c: 14.408 ± 0.003 Å
• α: 90°
• β: 95.328 ± 0.016°
• γ: 90°
• Cell volume: 2094.9 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No