Information card for entry 4121935

Structure parameters

• Formula: C23 H30 O4
• Calculated formula: C23 H30 O4
• SMILES: O=C1O[C@@]2(CC[C@H]3[C@](CCC[C@@]3([C@H]2C1)C)(C)COC(=O)c1ccccc1)C
• Title of publication: Total synthesis of taiwaniadducts B, C, and d.
• Authors of publication: Deng, Jun; Zhou, Shupeng; Zhang, Wenhao; Li, Jian; Li, Ruofan; Li, Ang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 23
• Pages of publication: 8185 - 8188
• a: 7.8448 ± 0.0009 Å
• b: 12.3771 ± 0.0014 Å
• c: 20.72 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2011.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No