Information card for entry 7121351

Structure parameters

• Formula: C39 H27 N3 O
• Calculated formula: C39 H27 N3 O
• Title of publication: An umpolung of Lewis acidity/basicity at nitrogen by deprotonation of a cyclic (amino)(aryl)nitrenium cation.
• Authors of publication: Zhou, Jiliang; Liu, Liu Leo; Cao, Levy L.; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 4390 - 4393
• a: 16.697 ± 0.004 Å
• b: 9.825 ± 0.002 Å
• c: 16.948 ± 0.004 Å
• α: 90°
• β: 91.627 ± 0.008°
• γ: 90°
• Cell volume: 2779.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No