Information card for entry 1507394

Structure parameters

• Formula: C14 H16 O5 S
• Calculated formula: C14 H16 O5 S
• SMILES: S(=O)(=O)([C@]12O[C@@H]2[C@@H]2OC(O[C@@H]2C1)(C)C)c1ccccc1
• Title of publication: Chemistry of epoxysulfones: straightforward synthesis of versatile chiral building blocks.
• Authors of publication: Díez, David; Benéitez, M Templo; Marcos, Isidro S.; Garrido, N. M.; Basabe, P.; Sanz, F.; Broughton, Howard B.; Urones, Julio G.
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 23
• Pages of publication: 4361 - 4364
• a: 15.814 ± 0.003 Å
• b: 10.55 ± 0.002 Å
• c: 10.919 ± 0.002 Å
• α: 90°
• β: 128.76 ± 0.03°
• γ: 90°
• Cell volume: 1420.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections: 0.1971
• Weighted residual factors for significantly intense reflections: 0.1657
• Goodness-of-fit parameter for all reflections: 1.088
• Goodness-of-fit parameter for significantly intense reflections: 0.983
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No