Information card for entry 7131597

Structure parameters

• Formula: C56 H48 I2 N2 O8 S4
• Calculated formula: C56 H48 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: 9.2544 ± 0.0002 Å
• b: 9.7531 ± 0.0002 Å
• c: 30.479 ± 0.0009 Å
• α: 89.135 ± 0.002°
• β: 88.15 ± 0.002°
• γ: 74.562 ± 0.002°
• Cell volume: 2650.31 ± 0.11 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: 0.0591
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No