Information card for entry 2235330

Structure parameters

• Chemical name: Methyl (<i>R</i>)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate
• Formula: C15 H12 Cl N O7 S
• Calculated formula: C15 H12 Cl N O7 S
• SMILES: C(=O)([C@@H](c1c(cccc1)Cl)OS(=O)(=O)c1cc(N(=O)=O)ccc1)OC
• Title of publication: Methyl (<i>R</i>)-2-(2-chlorophenyl)-2-(3-nitrophenylsulfonyloxy)acetate
• Authors of publication: Li, Ying-Hua; Xu, Hong-Wu; Zhang, Liu-Xue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1689
• a: 7.5791 ± 0.0003 Å
• b: 11.0242 ± 0.0005 Å
• c: 19.6736 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1643.8 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0493
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes