Information card for entry 1506073

Structure parameters

• Formula: C32 H42 O6 S
• Calculated formula: C32 H42 O6 S
• SMILES: S(=O)(=O)(c1ccccc1)[C@H]([C@@H]1O[C@@H]([C@@H]2[C@H]1[C@H](CC=C2C)C(C)C)C[C@@](OCc1ccccc1)(C)C(=O)OC)C
• Title of publication: Approach to the synthesis of cladiell-11-ene-3,6,7-triol.
• Authors of publication: Hutchison, John M.; Lindsay, Harriet A.; Dormi, Silvana S.; Jones, Gavin D.; Vicic, David A.; McIntosh, Matthias C.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3663 - 3665
• a: 10.921 ± 0.007 Å
• b: 11.884 ± 0.006 Å
• c: 23.835 ± 0.015 Å
• α: 90°
• β: 102.14 ± 0.02°
• γ: 90°
• Cell volume: 3024 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1651
• Residual factor for significantly intense reflections: 0.1436
• Weighted residual factors for significantly intense reflections: 0.3995
• Weighted residual factors for all reflections included in the refinement: 0.4212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.408
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No