Information card for entry 4129628

Structure parameters

• Formula: C29 H35 N O6 Si
• Calculated formula: C29 H35 N O6 Si
• SMILES: [Si](C1=CC(=O)[C@@]23C(=O)[C@@H]1C=C2[C@]1([C@@H](C([C@H](OC(=O)c2ccc(N(=O)=O)cc2)CC1)(C)C)CC3)C)(C)(C)C.[Si](C1=CC(=O)[C@]23C(=O)[C@H]1C=C2[C@@]1([C@H](C([C@@H](OC(=O)c2ccc(N(=O)=O)cc2)CC1)(C)C)CC3)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: 7.3277 ± 0.0007 Å
• b: 12.5761 ± 0.0016 Å
• c: 16.8309 ± 0.0013 Å
• α: 68.764 ± 0.009°
• β: 78.415 ± 0.008°
• γ: 85.076 ± 0.009°
• Cell volume: 1416.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No