Information card for entry 1505917

Structure parameters

• Formula: C18 H20 O3 S
• Calculated formula: C18 H20 O3 S
• SMILES: S(=O)(=O)(C[C@]([C@@H](O)c1ccccc1)(C)C=C)c1ccccc1.S(=O)(=O)(C[C@@]([C@H](O)c1ccccc1)(C)C=C)c1ccccc1
• Title of publication: Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.
• Authors of publication: Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1459 - 1462
• a: 6.1395 ± 0.0009 Å
• b: 23.287 ± 0.003 Å
• c: 11.4789 ± 0.0017 Å
• α: 90°
• β: 101.384 ± 0.002°
• γ: 90°
• Cell volume: 1608.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No