Information card for entry 7028228

Structure parameters

• Formula: C15 H16 N2 O2 S
• Calculated formula: C15 H16 N2 O2 S
• Title of publication: Dual role of 2-tosylaminomethylaniline as a ligand and a nucleophile in the copper-mediated oxidation of methanol.
• Authors of publication: Sanmartín-Matalobos, Jesus; García-Deibe, Ana M; Briones-Miguéns, Lucía; González-Bello, Concepcion; Portela-García, Cristina; Fondo, Matilde
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 722 - 728
• a: 15.9574 ± 0.0004 Å
• b: 6.0364 ± 0.0001 Å
• c: 14.9838 ± 0.0003 Å
• α: 90°
• β: 110.936 ± 0.001°
• γ: 90°
• Cell volume: 1348.03 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0537
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No