Information card for entry 7156059

Structure parameters

• Formula: C24 H19 Cl I N O
• Calculated formula: C24 H19 Cl I N O
• SMILES: I/C(=C/C1(C(=O)N(C)c2ccccc12)c1ccc(cc1)C)c1ccc(Cl)cc1
• 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: 9.2532 ± 0.0019 Å
• b: 9.542 ± 0.003 Å
• c: 12.045 ± 0.003 Å
• α: 82.895 ± 0.003°
• β: 86.591 ± 0.003°
• γ: 79.419 ± 0.003°
• Cell volume: 1036.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0352
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No