Information card for entry 4028601

Structure parameters

• Formula: C21 H21 N O4
• Calculated formula: C21 H21 N O4
• SMILES: [C@H]12[C@@H](CO[C@]1(C(=O)N2Cc1ccccc1)[C@H](C(=O)C)c1ccccc1)O
• Title of publication: Synthesis of Fused-β-Lactams through Selective Gold-Catalyzed Oxycyclization of Dioxolane-Tethered Enynes
• Authors of publication: Benito Alcaide; Pedro Almendros; Teresa Martínez del Campo; M. Rosario Torres
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 8956 - 8965
• a: 6.4739 ± 0.0006 Å
• b: 15.5769 ± 0.0015 Å
• c: 18.5242 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1868 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.135
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No