Information card for entry 1505942

Structure parameters

• Formula: C24 H27 N O6
• Calculated formula: C24 H27 N O6
• SMILES: O1C(=O)[C@@H]2CN([C@@]([C@]12C)(COCc1ccccc1)C(=O)OC)Cc1ccc(OC)cc1
• Title of publication: Novel bicyclization reaction leading to a fused beta-lactone.
• Authors of publication: Reddy, Leleti Rajender; Corey, E. J.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 8
• Pages of publication: 1717 - 1719
• a: 7.4379 ± 0.001 Å
• b: 11.1077 ± 0.0014 Å
• c: 13.6905 ± 0.0017 Å
• α: 90°
• β: 102.016 ± 0.002°
• γ: 90°
• Cell volume: 1106.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No