Information card for entry 7204186

Structure parameters

• Formula: C15 H26 O S
• Calculated formula: C15 H26 O S
• SMILES: S1(=O)C[C@@]23[C@H](C[C@@H]1C(C)C)C[C@@H](CC2)C3(C)C
• Title of publication: Synthesis and evaluation of a broad range of chiral sulfides for asymmetric sulfur ylide epoxidation of aldehydes
• Authors of publication: Varinder K. Aggarwal; Rémy Angelaud; Dominique Bihan; Paul Blackburn; Robin Fieldhouse; Silvia J. Fonquerna; Gair D. Ford; George Hynd; Elfyn Jones; Ray V. H. Jones; Philippe Jubault; Matthew J. Palmer; Paul D. Ratcliffe; Harry Adams
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2001
• Journal issue: 20
• Pages of publication: 2604 - 2622
• a: 7.5509 ± 0.0007 Å
• b: 7.9475 ± 0.0008 Å
• c: 23.423 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1405.6 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0481
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No