Information card for entry 4029626

Structure parameters

• Formula: C28 H34 N2 O7 S2
• Calculated formula: C28 H34 N2 O7 S2
• SMILES: c1cc(C)ccc1S(=O)(=O)N(c1c(cc(c(c1)OCC)N1CCOCC1)OCC)S(=O)(=O)c1ccc(C)cc1
• Title of publication: Electrochemical synthesis of sulfonamide derivatives based on the oxidation of 2,5-diethoxy-4-morpholinoaniline in the presence of arylsulfinic acids.
• Authors of publication: Beiginejad, Hadi; Nematollahi, Davood
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 13
• Pages of publication: 6326 - 6329
• a: 8.9439 ± 0.0015 Å
• b: 11.99 ± 0.002 Å
• c: 14.673 ± 0.002 Å
• α: 107.716 ± 0.012°
• β: 96.599 ± 0.013°
• γ: 100.669 ± 0.013°
• Cell volume: 1448.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0912
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1918
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.573
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No