Information card for entry 4122406

Structure parameters

• Formula: C24 H24 O3
• Calculated formula: C24 H24 O3
• SMILES: O=C([C@]12C(=O)C(=C([C@](CC(=C)C1)(C2=O)CC=C)C)CC=C)c1ccccc1.O=C([C@@]12C(=O)C(=C([C@@](CC(=C)C1)(C2=O)CC=C)C)CC=C)c1ccccc1
• Title of publication: Rapid Synthesis of Polyprenylated Acylphloroglucinol Analogs via Dearomative Conjunctive Allylic Annulation.
• Authors of publication: Grenning, Alexander J.; Boyce, Jonathan H.; Porco, Jr, John A
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 33
• Pages of publication: 11799 - 11804
• a: 7.9765 ± 0.0012 Å
• b: 13.299 ± 0.002 Å
• c: 18.161 ± 0.003 Å
• α: 90°
• β: 98.877 ± 0.007°
• γ: 90°
• Cell volume: 1903.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 3
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No