Information card for entry 4129634

Structure parameters

• Formula: C34 H39 N O7
• Calculated formula: C34 H39 N O7
• SMILES: O(C1(OC)[C@H]2C=C3[C@]([C@H](c4ccccc4)C2)(C1=O)CC[C@H]1[C@]3(CC[C@@H](OC(=O)c2ccc(N(=O)=O)cc2)C1(C)C)C)C.O(C1(OC)[C@@H]2C=C3[C@@]([C@@H](c4ccccc4)C2)(C1=O)CC[C@@H]1[C@@]3(CC[C@H](OC(=O)c2ccc(N(=O)=O)cc2)C1(C)C)C)C
• Title of publication: Total Synthesis of Atisane-Type Diterpenoids: Application of Diels-Alder Cycloadditions of Podocarpane-Type Unmasked ortho-Benzoquinones.
• Authors of publication: Song, Liqiang; Zhu, Guili; Liu, Yongjiang; Liu, Bo; Qin, Song
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 42
• Pages of publication: 13706 - 13714
• a: 11.7541 ± 0.0007 Å
• b: 36.2871 ± 0.0018 Å
• c: 7.3993 ± 0.0005 Å
• α: 90°
• β: 106.438 ± 0.007°
• γ: 90°
• Cell volume: 3027 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No