Information card for entry 7155534

Structure parameters

• Chemical name: Ethyl (1aS,2S,3R,3aR,6aS,6bS)-4-oxo-5-tosyloctahydro-2,6a-epoxyoxireno[2,3-e]isoindole-3-carboxylate
• Formula: C18 H19 N O7 S
• Calculated formula: C18 H19 N O7 S
• Title of publication: Enantioselective Diels-Alder-lactamization organocascades employing a furan-based diene.
• Authors of publication: Abbasov, Mikail E.; Hudson, Brandi M.; Kong, Weixu; Tantillo, Dean J.; Romo, Daniel
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 15
• Pages of publication: 3179 - 3183
• a: 12.8722 ± 0.0005 Å
• b: 6.6204 ± 0.0002 Å
• c: 20.7083 ± 0.0008 Å
• α: 90°
• β: 92.069 ± 0.002°
• γ: 90°
• Cell volume: 1763.59 ± 0.11 ų
• Cell temperature: 110.15 K
• Ambient diffraction temperature: 110.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No