Information card for entry 4021212

Structure parameters

• Formula: C19 H25 N O3 S
• Calculated formula: C19 H25 N O3 S
• SMILES: S(=O)(=O)(N1[C@]2(C(=O)CCC2)[C@@H](CCC1)CC=C)c1ccc(cc1)C.S(=O)(=O)(N1[C@@]2(C(=O)CCC2)[C@H](CCC1)CC=C)c1ccc(cc1)C
• Title of publication: Investigations of α-Siloxy-Epoxide Ring Expansions Forming 1-Azaspirocyclic Ketones
• Authors of publication: Gregory R. Dake; Michaël D. B. Fenster; Mélissa Fleury; Brian O. Patrick
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 5676 - 5683
• a: 7.671 ± 0.002 Å
• b: 18.709 ± 0.006 Å
• c: 12.796 ± 0.004 Å
• α: 90°
• β: 102.651 ± 0.007°
• γ: 90°
• Cell volume: 1791.7 ± 0.9 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 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