Information card for entry 4026057

Structure parameters

• Formula: C24 H26 N O7
• Calculated formula: C24 H26 N O7
• SMILES: O1c2ccccc2OC(=O)[C@]1(NC(=O)[C@@]1(O)Oc2c(O[C@@]1(C)CC)cccc2)[C@H](C)CC
• Title of publication: Synthesis-Guided Structure Revision of the Sarcodonin, Sarcoviolin, and Hydnellin Natural Product Family
• Authors of publication: David W. Lin; Takeshi Masuda; Moritz B. Biskup; Jonathan D. Nelson; Phil S. Baran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1013 - 1030
• a: 9.983 ± 0.002 Å
• b: 10.796 ± 0.002 Å
• c: 20.198 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176.9 ± 0.7 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: 0.1061
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No