Information card for entry 7157262

Structure parameters

• Formula: C17 H17 N O4 S
• Calculated formula: C17 H17 N O4 S
• Title of publication: Room temperature iron(ii)-catalyzed radical cyclization of unsaturated oximes with hypervalent iodine reagents.
• Authors of publication: Yang, Shichao; Li, Hongji; Li, Pinhua; Yang, Jingya; Wang, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 715 - 724
• a: 5.7496 ± 0.0011 Å
• b: 11.342 ± 0.002 Å
• c: 12.287 ± 0.003 Å
• α: 92.62 ± 0.03°
• β: 95.69 ± 0.03°
• γ: 94.25 ± 0.03°
• Cell volume: 794 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0647
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No