Information card for entry 4029199

Structure parameters

• Formula: C21.083 H20.166 Cl0.166 N2 O5 S
• Calculated formula: C21 H20 N2 O5 S
• Title of publication: Diastereoselective Synthesis of γ- and δ-Lactams from Imines and Sulfone-Substituted Anhydrides.
• Authors of publication: Sorto, Nohemy A.; Di Maso, Michael J.; Muñoz, Manuel A; Dougherty, Ryan J.; Fettinger, James C.; Shaw, Jared T.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 6
• Pages of publication: 2601 - 2610
• a: 12.3792 ± 0.0004 Å
• b: 13.7629 ± 0.0004 Å
• c: 14.2146 ± 0.0004 Å
• α: 61.678 ± 0.001°
• β: 87.308 ± 0.001°
• γ: 82.561 ± 0.001°
• Cell volume: 2113.66 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No