Information card for entry 4033320

Structure parameters

• Formula: C21 H14 I N
• Calculated formula: C21 H14 I N
• Title of publication: Preparation of 3-Iodoquinolines from N-Tosyl-2-propynylamines with Diaryliodonium Triflate and N-Iodosuccinimide.
• Authors of publication: Sasaki, Teppei; Moriyama, Katsuhiko; Togo, Hideo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 22
• Pages of publication: 11727 - 11734
• a: 13.1542 ± 0.0017 Å
• b: 5.9354 ± 0.0008 Å
• c: 21.289 ± 0.003 Å
• α: 90°
• β: 99.3213 ± 0.0016°
• γ: 90°
• Cell volume: 1640.2 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0482
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No