Information card for entry 1516742

Structure parameters

• Formula: C27 H33 F O8
• Calculated formula: C27 H33 F O8
• SMILES: c1(c(c2c(c(F)cc(c2cc1)OC)OC)OC)[C@H]1O[C@H]([C@@H](CC1)O[C@H]1O[C@@H]([C@H](C=C1)OC(=O)C)C)C
• Title of publication: Iterative benzyne-furan cycloaddition reactions: studies toward the total synthesis of ent-Sch 47554 and ent-Sch 47555.
• Authors of publication: Morton, Gillian E.; Barrett, Anthony G. M.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 2859 - 2861
• a: 38.884 ± 0.007 Å
• b: 8.6698 ± 0.0017 Å
• c: 7.8123 ± 0.0014 Å
• α: 90°
• β: 92.945 ± 0.015°
• γ: 90°
• Cell volume: 2630.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 1.54248 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No