Information card for entry 7116302

Structure parameters

• Formula: C35 H35 Cl6 I N2 O5 S2
• Calculated formula: C35 H35 Cl6 I N2 O5 S2
• Title of publication: Regioselective Csp(2)-H dual functionalization of indoles using hypervalent iodine(iii): bromo-amination via 1,3-migration of imides on indolyl(phenyl)iodonium imides.
• Authors of publication: Moriyama, Katsuhiko; Ishida, Kazuma; Togo, Hideo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2273 - 2276
• a: 18.254 ± 0.003 Å
• b: 9.5783 ± 0.0015 Å
• c: 23.967 ± 0.004 Å
• α: 90°
• β: 97.187 ± 0.002°
• γ: 90°
• Cell volume: 4157.5 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.1171
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No