Information card for entry 2223896

Structure parameters

• Chemical name: Diethyl 2,2'-[(5-dimethylamino-1-naphthyl)sulfonylimino]diacetate
• Formula: C20 H26 N2 O6 S
• Calculated formula: C20 H26 N2 O6 S
• SMILES: CCOC(=O)CN(S(=O)(=O)c1cccc2c1cccc2N(C)C)CC(=O)OCC
• Title of publication: Diethyl 2,2'-[(5-dimethylamino-1-naphthyl)sulfonylimino]diacetate
• Authors of publication: Zhang, Yong; Qu, Yuan; Liu, Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2752
• a: 13.1266 ± 0.0009 Å
• b: 8.4592 ± 0.0005 Å
• c: 19.3206 ± 0.0012 Å
• α: 90°
• β: 93.53 ± 0.001°
• γ: 90°
• Cell volume: 2141.3 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes