Information card for entry 7126141

Structure parameters

• Formula: C48 H62 Br2 N4
• Calculated formula: C48 H62 Br2 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: 10.782 ± 0.005 Å
• b: 13.431 ± 0.006 Å
• c: 15.604 ± 0.008 Å
• α: 90°
• β: 97.24 ± 0.03°
• γ: 90°
• Cell volume: 2241.6 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0844
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0363
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No