Information card for entry 4035750

Structure parameters

• Formula: C21 H28 O4
• Calculated formula: C21 H28 O4
• SMILES: O=C1OC(Oc2c3C[C@H]4C(CCC[C@@]4(Oc3cc(c12)C)C)(C)C)(C)C.O=C1OC(Oc2c3C[C@@H]4C(CCC[C@]4(Oc3cc(c12)C)C)(C)C)(C)C
• 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: 11.1181 ± 0.0007 Å
• b: 12.8001 ± 0.0006 Å
• c: 13.9682 ± 0.0007 Å
• α: 90°
• β: 110.718 ± 0.007°
• γ: 90°
• Cell volume: 1859.3 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No