Information card for entry 4121456

Structure parameters

• Formula: C29 H35 Br O4
• Calculated formula: C29 H35 Br O4
• SMILES: Brc1ccc(C(=O)O[C@@H]2[C@H](C3=C(CC[C@H]2C)C(CCC3)(C)C)c2c(OC)ccc(OC)c2)cc1
• Title of publication: Cyclopropene cycloadditions with annulated furans: total synthesis of (+)- and (-)-frondosin B and (+)-frondosin a.
• Authors of publication: Oblak, E. Zachary; Vanheyst, Michael D.; Li, Jin; Wiemer, Andrew J.; Wright, Dennis L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 11
• Pages of publication: 4309 - 4315
• a: 7.5438 ± 0.0006 Å
• b: 10.6784 ± 0.0009 Å
• c: 32.488 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2617.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No