Information card for entry 4021208

Structure parameters

• Formula: C23 H24 N2 O7 S
• Calculated formula: C23 H24 N2 O7 S
• SMILES: S(=O)(=O)(N1[C@@]2([C@H](OC(=O)c3ccc(N(=O)=O)cc3)CCC1)C(=O)CCC2)c1ccc(cc1)C.S(=O)(=O)(N1[C@]2([C@@H](OC(=O)c3ccc(N(=O)=O)cc3)CCC1)C(=O)CCC2)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: 7.6587 ± 0.0006 Å
• b: 13.4467 ± 0.0008 Å
• c: 21.746 ± 0.002 Å
• α: 90°
• β: 96.428 ± 0.004°
• γ: 90°
• Cell volume: 2225.5 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No