Information card for entry 4035748

Structure parameters

• Formula: C26 H35 Br O4
• Calculated formula: C26 H35 Br O4
• SMILES: O=C1OC(Oc2c3C[C@@H]4[C@]5(CC[C@H](Br)C([C@@H]5CC[C@]4(Oc3cc(c12)C)C)(C)C)C)(C)C.O=C1OC(Oc2c3C[C@H]4[C@@]5(CC[C@@H](Br)C([C@H]5CC[C@@]4(Oc3cc(c12)C)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: 16.6717 ± 0.0011 Å
• b: 10.9343 ± 0.0005 Å
• c: 13.0037 ± 0.0008 Å
• α: 90°
• β: 102.86 ± 0.007°
• γ: 90°
• Cell volume: 2311 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1459
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No