Information card for entry 7131732

Structure parameters

• Formula: C34 H28 N2
• Calculated formula: C34 H28 N2
• Title of publication: Hydroarylation of alkynes <i>via</i> dual <i>ortho</i>-C-H functionalization of diaryl amines on a dicopper(I,I) platform.
• Authors of publication: Pal, Nilay Kumar; Patra, Moumita; Pandey, Prabhakar K.; Bera, Jitendra K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 52
• Pages of publication: 8079 - 8082
• a: 10.7845 ± 0.0013 Å
• b: 11.1594 ± 0.0014 Å
• c: 11.3909 ± 0.0014 Å
• α: 72.04 ± 0.004°
• β: 88.325 ± 0.004°
• γ: 68.64 ± 0.003°
• Cell volume: 1209.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 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: 0.0572
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No