Information card for entry 4107908

Structure parameters

• Formula: C29 H38 N2 O7
• Calculated formula: C29 H38 N2 O7
• SMILES: [C@@H]12c3c4ccccc4[nH]c3C([C@@H](CCN1C(=O)OC(C)(C)C)C2=O)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
• Title of publication: Total Synthesis of (\±)-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: 2008
• Journal volume: 130
• Pages of publication: 7568 - 7569
• a: 9.5856 ± 0.001 Å
• b: 21.593 ± 0.002 Å
• c: 14.2124 ± 0.0015 Å
• α: 90°
• β: 104.175 ± 0.002°
• γ: 90°
• Cell volume: 2852.1 ± 0.5 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No