Information card for entry 4025591

Structure parameters

• Common name: cyclic-disulfide
• Chemical name: (S*)-N-(3,3-dimethyl-1,2-dithiolan-4-yl)-4-methylbenzenesulfonamide
• Formula: C12 H17 N O2 S3
• Calculated formula: C12 H17 N O2 S3
• Title of publication: Tetrathiomolybdate Mediated Rearrangement of Aziridinemethanol Tosylates: A Thia-Aza-Payne Rearrangement
• Authors of publication: Devarajulu Sureshkumar; Srinivasamurthy Koutha; Venkataraman Ganesh; Srinivasan Chandrasekaran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 5533 - 5541
• a: 7.238 ± 0.004 Å
• b: 10.304 ± 0.005 Å
• c: 10.95 ± 0.006 Å
• α: 109.161 ± 0.008°
• β: 102.369 ± 0.008°
• γ: 94.459 ± 0.009°
• Cell volume: 743.7 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0558
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1435
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No