Information card for entry 4129639

Structure parameters

• Formula: C24 H38 O4 Si
• Calculated formula: C24 H38 O4 Si
• SMILES: CC1(C)[C@H](CC[C@]2([C@H]1CC[C@]13C2=C[C@H](C(C1=O)(OC)OC)C(=C3)[Si](C)(C)C)C)O.CC1(C)[C@@H](CC[C@@]2([C@@H]1CC[C@@]13C2=C[C@@H](C(C1=O)(OC)OC)C(=C3)[Si](C)(C)C)C)O
• 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: 7.3873 ± 0.0004 Å
• b: 16.6013 ± 0.0008 Å
• c: 19.964 ± 0.001 Å
• α: 90°
• β: 99.818 ± 0.005°
• γ: 90°
• Cell volume: 2412.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0644
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No