Information card for entry 7157722

Structure parameters

• Formula: C37 H34 I N O2
• Calculated formula: C37 H33.755 I N O2
• Title of publication: Palladium-catalyzed double coupling reaction of terminal alkynes with isocyanides: a direct approach to symmetrical <i>N</i>-aryl dialkynylimines.
• Authors of publication: Xi, Zhi-Wei; He, Yan; Liu, Li-Qiu; Wang, Ying-Chun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 40
• Pages of publication: 8089 - 8093
• a: 5.8087 ± 0.0003 Å
• b: 11.2608 ± 0.0007 Å
• c: 47.001 ± 0.002 Å
• α: 93.058 ± 0.005°
• β: 90.358 ± 0.004°
• γ: 92.48 ± 0.005°
• Cell volume: 3067 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No