Information card for entry 7155124

Structure parameters

• Formula: C17 H21 N O5 S
• Calculated formula: C17 H21 N O5 S
• Title of publication: An asymmetric approach to bicyclo[2.2.1]heptane-1-carboxylates via a formal [4 + 2] cycloaddition reaction enabled by organocatalysis.
• Authors of publication: Fu, Jian-Guo; Shan, Yi-Fan; Sun, Wang-Bin; Lin, Guo-Qiang; Sun, Bing-Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 23
• Pages of publication: 5229 - 5232
• a: 7.5608 ± 0.0008 Å
• b: 13.1579 ± 0.0014 Å
• c: 16.9471 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1686 ± 0.3 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 5
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No