Information card for entry 1506602

Structure parameters

• Common name: [(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate
• Chemical name: [(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo [2.2.1]heptane-1-carboxylate
• Formula: C27 H30 O7 S
• Calculated formula: C27 H30 O7 S
• SMILES: S(=O)(=O)([C@@H]1[C@@H](c2ccccc2)O[C@@H](C1)COC(=O)[C@]12CC[C@@](C(=O)O2)(C1(C)C)C)c1ccccc1
• Title of publication: Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes.
• Authors of publication: Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 14
• Pages of publication: 2945 - 2948
• a: 6.4186 ± 0.001 Å
• b: 11.8863 ± 0.0013 Å
• c: 31.835 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2428.8 ± 0.5 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: 0.052
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No