Information card for entry 4035747

Structure parameters

• Formula: C21 H27 I O4
• Calculated formula: C21 H27 I O4
• SMILES: O=C1OC(Oc2c3C[C@@H]4C([C@H](I)CC[C@]4(Oc3cc(c12)C)C)(C)C)(C)C.O=C1OC(Oc2c3C[C@H]4C([C@@H](I)CC[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: 11.9049 ± 0.0008 Å
• b: 13.0663 ± 0.0007 Å
• c: 14.3669 ± 0.0006 Å
• α: 82.833 ± 0.004°
• β: 82.432 ± 0.004°
• γ: 65.736 ± 0.006°
• Cell volume: 2013.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No