Information card for entry 4102186

Structure parameters

• Formula: C20 H26 N2 O6
• Calculated formula: C20 H25 N2 O6
• SMILES: [nH]1c2c(c3ccccc13)[C@@H]1[NH+]3CC[C@@H]4[C@]2(CO[C@@]4([C@H]1CC3)O)C(=O)[O-].CO.O
• 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: 13.3502 ± 0.0007 Å
• b: 15.9899 ± 0.0008 Å
• c: 17.0757 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3645.1 ± 0.3 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No