Information card for entry 1511949

Structure parameters

• Formula: C24 H36 O5
• Calculated formula: C24 H36 O5
• SMILES: O=C(OC)[C@H]1[C@H]2C(CCC[C@@]2(c2c1c(OC)c(c(OC)c2OC)C(C)C)C)(C)C.O=C(OC)[C@@H]1[C@@H]2C(CCC[C@]2(c2c1c(OC)c(c(OC)c2OC)C(C)C)C)(C)C
• Title of publication: Divergent total synthesis of taiwaniaquinones a and f and taiwaniaquinols B and d.
• Authors of publication: Deng, Jun; Li, Ruofan; Luo, Yijie; Li, Jian; Zhou, Shupeng; Li, Yongjian; Hu, Jingyu; Li, Ang
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 2022 - 2025
• a: 9.975 ± 0.003 Å
• b: 11.588 ± 0.004 Å
• c: 11.86 ± 0.004 Å
• α: 63.519 ± 0.006°
• β: 87.965 ± 0.007°
• γ: 70.57 ± 0.006°
• Cell volume: 1146.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No