Information card for entry 1545888

Structure parameters

• Formula: C25 H25 N O2 S2
• Calculated formula: C25 H25 N O2 S2
• SMILES: S(=O)(=O)(N(C1=C(CCC1Sc1ccccc1)c1ccccc1)C)c1ccc(cc1)C
• Title of publication: Regioselective Functionalization of Enamides at the α-Carbon via Unsymmetrical 2-Amidoallyl Cations.
• Authors of publication: Saputra, Mirza A.; Dange, Nitin S.; Cleveland, Alexander H.; Malone, Joshua A.; Fronczek, Frank R.; Kartika, Rendy
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2414 - 2417
• a: 8.6354 ± 0.0004 Å
• b: 9.6432 ± 0.0004 Å
• c: 14.338 ± 0.0007 Å
• α: 100.662 ± 0.003°
• β: 96.56 ± 0.002°
• γ: 112.543 ± 0.002°
• Cell volume: 1060.91 ± 0.09 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0426
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No