Information card for entry 4102187

Structure parameters

• Formula: C32 H40 N2 O8 S
• Calculated formula: C32 H40 N2 O8 S
• SMILES: S(=O)(=O)(N1[C@H](c2c([nH]c3ccccc23)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](OC(=O)C)CCC1)c1ccccc1
• Title of publication: Total Synthesis of (\±)- and (-)-Actinophyllic Acid
• Authors of publication: Connor L. Martin; Larry E. Overman; Jason M. Rohde
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 4894 - 4906
• a: 11.3371 ± 0.0006 Å
• b: 16.2005 ± 0.0009 Å
• c: 18.065 ± 0.001 Å
• α: 90°
• β: 105.481 ± 0.001°
• γ: 90°
• Cell volume: 3197.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No