Information card for entry 4109081

Structure parameters

• Formula: C30 H38 O7
• Calculated formula: C29 H38 O7
• SMILES: O=C1O[C@@H](C[C@H](O)C[C@@H](O)CC=C[C@@H](O)C[C@@H](O)CC(=CC=CC=CC=Cc2c1c(O)ccc2)C)C
• Title of publication: Total Synthesis of Marinomycins A-C and of Their Monomeric Counterparts Monomarinomycin A and iso-Monomarinomycin A
• Authors of publication: K. C. Nicolaou; Andrea L. Nold; Robert R. Milburn; Corinna S. Schindler; Kevin P. Cole; Junichiro Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1760 - 1768
• a: 36.257 ± 0.007 Å
• b: 8.2518 ± 0.0017 Å
• c: 21.011 ± 0.004 Å
• α: 90°
• β: 117.31 ± 0.03°
• γ: 90°
• Cell volume: 5586 ± 2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No