Information card for entry 1503321

Structure parameters

• Formula: C10 H12 Cu O5 S
• Calculated formula: C10 H12 Cu O5 S
• Title of publication: Cu(II)-catalyzed acylation by thiol esters under neutral conditions: tandem acylation-wittig reaction leading to a one-pot synthesis of butenolides.
• Authors of publication: Matsuo, Kazumasa; Shindo, Mitsuru
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 22
• Pages of publication: 5346 - 5349
• a: 12.191 ± 0.003 Å
• b: 7.1808 ± 0.0017 Å
• c: 13.68 ± 0.003 Å
• α: 90°
• β: 103.631 ± 0.004°
• γ: 90°
• Cell volume: 1163.8 ± 0.5 ų
• Cell temperature: 123.1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No