Information card for entry 7716254

Structure parameters

• Formula: C36 H31 B F4 N3 O2 P Pd
• Calculated formula: C36 H31 B F4 N3 O2 P Pd
• Title of publication: Design and synthesis of versatile ligand precursors based on phosphonium ylides for palladalactam formation and catalytic investigation.
• Authors of publication: Kao, Cheng-Po; Lee, Jhen-Yi; Tang, Min-Cheng; Lee, Hon Man
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 25
• Pages of publication: 10475 - 10485
• a: 13.6635 ± 0.0012 Å
• b: 10.8979 ± 0.001 Å
• c: 23.52 ± 0.002 Å
• α: 90°
• β: 105.835 ± 0.004°
• γ: 90°
• Cell volume: 3369.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0565
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No