Information card for entry 4031527

Structure parameters

• Formula: C23 H34 O4
• Calculated formula: C23 H34 O4
• SMILES: O(c1c(OC)c2[C@]3(CCCC([C@@H](c2c(OC)c1C(C)C)[C@@]13OC1)(C)C)C)C.O(c1c(OC)c2[C@@]3(CCCC([C@H](c2c(OC)c1C(C)C)[C@]13OC1)(C)C)C)C
• 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: 7.7272 ± 0.0003 Å
• b: 21.2361 ± 0.0009 Å
• c: 25.093 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4117.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No