Information card for entry 7150261

Structure parameters

• Formula: C13 H14 Cl N O7 S
• Calculated formula: C13 H14 Cl N O7 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)/N=C(\C)OC(C(=O)OC)C(=O)OC
• Title of publication: Cyclic and acyclic sulfonimides in reactions with Rh(II)-ketocarbenoids: a new access to chemoselective O-functionalization of the imidic carbonyl groups.
• Authors of publication: Nikolaev, Vsevolod; Hennig, Lothar; Sieler, Jochim; Rodina, Ludmila; Schulze, Barbel; Nikolaev, Valerij
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 22
• Pages of publication: 4108 - 4116
• a: 8.0512 ± 0.0014 Å
• b: 8.7739 ± 0.0016 Å
• c: 11.745 ± 0.002 Å
• α: 91.894 ± 0.003°
• β: 105.771 ± 0.003°
• γ: 90.555 ± 0.003°
• Cell volume: 797.9 ± 0.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No