Information card for entry 4031528

Structure parameters

• Formula: C20 H28 O6
• Calculated formula: C20 H28 O6
• SMILES: O(C)c1c(O)c2[C@]3([C@H](C(C(=O)CC3)(C)C)C(=O)c2c(O)c1C(C)C)C.O.O(C)c1c(O)c2[C@@]3([C@@H](C(C(=O)CC3)(C)C)C(=O)c2c(O)c1C(C)C)C.O
• Title of publication: Total Synthesis of (±)-Taiwaniaquinol F and Related Taiwaniaquinoids.
• Authors of publication: Kakde, Badrinath N.; Kumari, Pooja; Bisai, Alakesh
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 9889 - 9899
• a: 6.567 ± 0.003 Å
• b: 11.997 ± 0.004 Å
• c: 12.947 ± 0.004 Å
• α: 79.817 ± 0.014°
• β: 77.04 ± 0.015°
• γ: 76.642 ± 0.015°
• Cell volume: 958.7 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.718
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No