Information card for entry 7156057

Structure parameters

• Formula: C24 H20 I N O
• Calculated formula: C24 H20 I N O
• Title of publication: A catalyst-free intermolecular trans-iodoalkylation of alkynes.
• Authors of publication: Liu, Jie-Jie; Huang, Hong-Yan; Cheng, Liang; Liu, Qi; Wang, Dong; Liu, Li
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 899 - 903
• a: 14.565 ± 0.003 Å
• b: 11.48 ± 0.002 Å
• c: 24.047 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020.8 ± 1.4 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No