Information card for entry 4116222

Structure parameters

• Formula: C40 H45 N O7
• Calculated formula: C40 H45 N O7
• SMILES: N1(CC=C[C@@H]([C@H](c2c(cc(cc12)COCc1ccccc1)OCc1ccccc1)COCc1ccc(cc1)OC)O)C(=O)OC(C)(C)C.N1(CC=C[C@H]([C@@H](c2c(cc(cc12)COCc1ccccc1)OCc1ccccc1)COCc1ccc(cc1)OC)O)C(=O)OC(C)(C)C
• Title of publication: Application of Ring-Closing Metathesis to the Formal Total Synthesis of (+)-FR900482
• Authors of publication: Ingrid M. Fellows; David E. Kaelin; Stephen F. Martin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 10781 - 10787
• a: 12.546 ± 0.001 Å
• b: 12.662 ± 0.001 Å
• c: 12.995 ± 0.001 Å
• α: 106.54 ± 0.01°
• β: 113.17 ± 0.01°
• γ: 96.981 ± 0.008°
• Cell volume: 1754.3 ± 0.3 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.0967
• Goodness-of-fit parameter for all reflections: 1.09
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No