Information card for entry 7151487

Structure parameters

• Formula: C16 H24 O7 S
• Calculated formula: C16 H24 O7 S
• SMILES: S1CCC(=O)[C@H](C2O[C@@H](C(=O)OC(C)C)[C@@H](O2)C(=O)OC(C)C)C1
• Title of publication: An enantioselective synthesis of the C(33)?C(37) fragment of Amphotericin BElectronic supplementary information (ESI) available: Tables S1?S5: crystal data and structure refinement, atomic coordinates and equivalent isotropic displacement parameters, bond lengths and angles, anisotropic displacement parameters and torsion angles for compound 7b. See http://www.rsc.org/suppdata/ob/b3/b305845j/
• Authors of publication: Karisalmi, Kaisa; Rissanen, Kari; Koskinen, Ari M. P.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 18
• Pages of publication: 3193
• a: 5.2341 ± 0.0002 Å
• b: 12.3751 ± 0.0005 Å
• c: 14.2381 ± 0.0007 Å
• α: 90°
• β: 97.688 ± 0.001°
• γ: 90°
• Cell volume: 913.95 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0583
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No