Information card for entry 1505993

Structure parameters

• Formula: C32 H50 N O6 S Si
• Calculated formula: C32 H50 N O6 S Si
• SMILES: [C@@H]([C@H](C)[C@@H](O[Si](C)(C(C)(C)C)C)CCOCc1ccccc1)([C@@H](C(=O)N1S(=O)(=O)C[C@@]23[C@@H]1C[C@@H]([C@]2(C)C)CC3)C)O
• Title of publication: Stereoselective synthesis of the cytotoxic macrolide FD-891.
• Authors of publication: García-Fortanet, Jorge; Murga, Juan; Carda, Miguel; Marco, J. Alberto
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 2695 - 2698
• a: 10.5557 ± 0.0009 Å
• b: 11.3404 ± 0.001 Å
• c: 15.57 ± 0.0013 Å
• α: 90°
• β: 108.636 ± 0.002°
• γ: 90°
• Cell volume: 1766.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1685
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No