Information card for entry 7131598

Structure parameters

• Formula: C22 H17 I O4 S
• Calculated formula: C22 H17 I O4 S
• SMILES: I/C(=C(S(=O)(=O)c1ccc(cc1)C)\C(=O)Oc1ccccc1)c1ccccc1
• 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: 7.9819 ± 0.0001 Å
• b: 9.8435 ± 0.0001 Å
• c: 13.6204 ± 0.0002 Å
• α: 82.881 ± 0.001°
• β: 74.573 ± 0.001°
• γ: 74.145 ± 0.001°
• Cell volume: 990.83 ± 0.02 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0207
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.0467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No