Information card for entry 7246055

Structure parameters

• Formula: C10.8 H8.8 Cl0.4 N0.4 O0.8 S0.4 Se0.4
• Calculated formula: C10.8 H8.8 Cl0.4 N0.4 O0.8 S0.4 Se0.4
• Title of publication: 100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen
• Authors of publication: Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 779 - 788
• a: 11.9543 ± 0.0002 Å
• b: 8.3309 ± 0.0001 Å
• c: 24.4205 ± 0.0004 Å
• α: 90°
• β: 102.103 ± 0.002°
• γ: 90°
• Cell volume: 2377.98 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No