Information card for entry 4129626

Structure parameters

• Formula: C25 H27 F O3
• Calculated formula: C25 H27 F O3
• SMILES: Fc1ccc(C2=C[C@H]3C(=O)C(=O)[C@@]42C(=C3)[C@@]2([C@H](C([C@@H](O)CC2)(C)C)CC4)C)cc1.Fc1ccc(C2=C[C@@H]3C(=O)C(=O)[C@]42C(=C3)[C@]2([C@@H](C([C@H](O)CC2)(C)C)CC4)C)cc1
• 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: 8.2096 ± 0.0004 Å
• b: 10.3606 ± 0.0006 Å
• c: 12.5374 ± 0.0007 Å
• α: 78.356 ± 0.005°
• β: 86.755 ± 0.004°
• γ: 78.294 ± 0.005°
• Cell volume: 1022.58 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No