Information card for entry 7054702

Structure parameters

• Formula: C18 H16 N2 O2 S
• Calculated formula: C18 H16 N2 O2 S
• SMILES: c1ccccc1Nc1ccc(c(c1)S(=O)(=O)c1ccccc1)N
• Title of publication: Electrochemical generation of a Michael acceptor: a green method for the synthesis of 4-amino-3-(phenylsulfonyl)diphenylamine derivatives
• Authors of publication: Salahifar, Eslam; Nematollahi, Davood
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3852
• a: 7.4296 ± 0.0005 Å
• b: 19.375 ± 0.002 Å
• c: 22.676 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3264.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.2351
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No