Information card for entry 7224640

Structure parameters

• Formula: C23 H17 N O2 S
• Calculated formula: C23 H17 N O2 S
• SMILES: S(=O)(c1ccccc1/N=C/c1c(O)ccc2ccccc12)c1ccccc1
• Title of publication: Selective oxidation of organic sulfides to sulfoxides using sugar derived cis-dioxo molybdenum(vi) complexes: kinetic and mechanistic studies
• Authors of publication: Baig, Noorullah; Madduluri, Vimal Kumar; Sah, Ajay K.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 33
• Pages of publication: 28015
• a: 5.626 ± 0.001 Å
• b: 12.886 ± 0.002 Å
• c: 24.399 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1768.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No