Information card for entry 1507449

Structure parameters

• Formula: C16 H14 N2 O3 S
• Calculated formula: C16 H14 N2 O3 S
• SMILES: S(=O)(=NN1C(=O)c2ccccc2C1=O)(C)c1ccc(cc1)C
• Title of publication: Electrochemical Imination of Sulfoxides Using N-Aminophthalimide
• Authors of publication: Siu, Tung; Yudin, Andrei K.
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 11
• Pages of publication: 1839
• a: 7.9615 ± 0.0002 Å
• b: 9.9599 ± 0.0002 Å
• c: 38.3334 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3039.68 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.0614
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No