Information card for entry 4104516

Structure parameters

• Common name: frojm03
• Formula: C28 H26 O6
• Calculated formula: C28 H26 O6
• SMILES: O1[C@]2([C@@H](C(=O)[C@H](OCC)[C@H]2c2c(OC)cc(OC)cc12)c1ccccc1)c1ccc(OC)cc1.O1[C@@]2([C@H](C(=O)[C@@H](OCC)[C@@H]2c2c(OC)cc(OC)cc12)c1ccccc1)c1ccc(OC)cc1
• Title of publication: Nazarov Cyclization Initiated by Peracid Oxidation: The Total Synthesis of (\±)-Rocaglamide
• Authors of publication: John A. Malona; Kevin Cariou; Alison J. Frontier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7560 - 7561
• a: 10.8038 ± 0.001 Å
• b: 23.985 ± 0.002 Å
• c: 8.7832 ± 0.0008 Å
• α: 90°
• β: 102.021 ± 0.001°
• γ: 90°
• Cell volume: 2226.1 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0731
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No