Information card for entry 7154020

Structure parameters

• Formula: C23 H22 F4 I O3 S
• Calculated formula: C23 H21 F4 I O3 S
• SMILES: O=S(=O)(C(F)(F)F)[O-].c1(cc(c(c(c1)C)[I+]c1c(cc(cc1)F)c1ccc(C)cc1)C)C
• Title of publication: Synthesis of phenanthridine derivatives via cascade annulation of diaryliodonium salts and nitriles.
• Authors of publication: Li, Jian; Wang, Hongni; Sun, Jiangtao; Yang, Yang; Liu, Li
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 40
• Pages of publication: 7904 - 7908
• a: 9.8987 ± 0.0008 Å
• b: 24.374 ± 0.002 Å
• c: 10.0794 ± 0.0009 Å
• α: 90°
• β: 105.82 ± 0.002°
• γ: 90°
• Cell volume: 2339.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0586
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No