Information card for entry 7126140

Structure parameters

• Formula: C42 H58 N4
• Calculated formula: C42 H58 N4
• Title of publication: Frustrated Lewis pair-catalyzed double hydroarylation of alkynes with N-substituted pyrroles.
• Authors of publication: Guo, Jing; Cheong, Odelia; Bamford, Karlee L.; Zhou, Jiliang; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1855 - 1858
• a: 6.449 ± 0.003 Å
• b: 10.347 ± 0.006 Å
• c: 13.623 ± 0.008 Å
• α: 85.979 ± 0.013°
• β: 84.125 ± 0.013°
• γ: 82.722 ± 0.016°
• Cell volume: 895.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No