Information card for entry 7131600

Structure parameters

• Formula: C50 H52 I2 N2 O8 S4
• Calculated formula: C50 H52 I2 N2 O8 S4
• Title of publication: Light-mediated sulfonyl-iodination of ynamides and internal alkynes.
• Authors of publication: Mutra, Mohana Reddy; Li, Jing; Wang, Jeh-Jeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 43
• Pages of publication: 6584 - 6587
• a: 8.5557 ± 0.0004 Å
• b: 10.3154 ± 0.0005 Å
• c: 29.9202 ± 0.0016 Å
• α: 93.058 ± 0.004°
• β: 96.826 ± 0.004°
• γ: 104.064 ± 0.004°
• Cell volume: 2534 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1546
• Residual factor for significantly intense reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.1998
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No