Information card for entry 4114501

Structure parameters

• Formula: C14 H18 O3 S
• Calculated formula: C14 H18 O3 S
• SMILES: S(=O)(=O)([C@H]1C[C@@H]([C@@H](O1)CC=C)C)c1ccccc1
• Title of publication: Total Syntheses of Amphidinolide T1, T3, T4, and T5
• Authors of publication: Christophe Aïssa; Ricardo Riveiros; Jacques Ragot; Alois Fürstner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15512 - 15520
• a: 8.6145 ± 0.0002 Å
• b: 8.8525 ± 0.0001 Å
• c: 18.0214 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1374.31 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No