Information card for entry 7128543

Structure parameters

• Formula: C24 H25 Cl2 N O7
• Calculated formula: C24 H25 Cl2 N O7
• Title of publication: Aminium cation-radical catalysed selective hydration of (<i>E</i>)-aryl enynes.
• Authors of publication: Giel, Marie-Claire; Barrow, Andrew S.; Smedley, Christopher J.; Lewis, William; Moses, John E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 57
• Pages of publication: 6991 - 6994
• a: 6.85821 ± 0.00012 Å
• b: 12.4948 ± 0.0003 Å
• c: 15.2391 ± 0.0003 Å
• α: 72.5999 ± 0.0017°
• β: 78.0024 ± 0.0016°
• γ: 89.0863 ± 0.0016°
• Cell volume: 1217.4 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No