Information card for entry 1555670

Structure parameters

• Formula: C57 H77 Cl3 O22
• Calculated formula: C57 H77 Cl3 O22
• Title of publication: Total Syntheses of the Resorcylic Acid Lactones Paecilomycin F and Cochliomycin C Using an Intramolecular Loh-Type α-Allylation Reaction for Macrolide Formation.
• Authors of publication: Ma, Xiang; Bolte, Benoit; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 17
• Pages of publication: 4226 - 4229
• a: 20.6774 ± 0.0002 Å
• b: 5.6019 ± 0.0001 Å
• c: 25.4783 ± 0.0002 Å
• α: 90°
• β: 90.3838 ± 0.0008°
• γ: 90°
• Cell volume: 2951.15 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections: 0.1171
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0219
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No