Information card for entry 4033146

Structure parameters

• Formula: C21 H25 N O6
• Calculated formula: C21 H25 N O6
• Title of publication: Short Enantioselective Total Syntheses of Cheloviolenes A and B and Dendrillolide C via Convergent Fragment Coupling Using a Tertiary Carbon Radical.
• Authors of publication: Garnsey, Michelle R.; Slutskyy, Yuriy; Jamison, Christopher R.; Zhao, Peng; Lee, Juyeol; Rhee, Young Ho; Overman, Larry E.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 7.9748 ± 0.0009 Å
• b: 14.1924 ± 0.0017 Å
• c: 17.903 ± 0.002 Å
• α: 89.1869 ± 0.0016°
• β: 83.5067 ± 0.0016°
• γ: 74.6777 ± 0.0016°
• Cell volume: 1941.5 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No