Information card for entry 4035743

Structure parameters

• Formula: C23 H34 O5
• Calculated formula: C23 H34 O5
• SMILES: C(=O)(O)c1c(O)c2C[C@@H]3[C@]4(CCCC([C@@H]4CC[C@]3(Oc2cc1C)C)(C)C)C.O
• Title of publication: Meroterpenoid Synthesis via Sequential Polyketide Aromatization and Cationic Polyene Cyclization: Total Syntheses of (+)-Hongoquercin A and B and Related Meroterpenoids.
• Authors of publication: Ma, Tsz-Kan; Elliott, Daniel C.; Reid, Stephanie; White, Andrew J. P.; Parsons, Philip J.; Barrett, Anthony G. M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 21
• Pages of publication: 13276 - 13286
• a: 10.0281 ± 0.0003 Å
• b: 13.8303 ± 0.0003 Å
• c: 14.9525 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2073.79 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0586
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No