Information card for entry 7133860

Structure parameters

• Formula: C46 H46 Cl6 F6 N3 O8 Pd2
• Calculated formula: C40 H34 F6 N4 O6 Pd2
• Title of publication: Chelation-assisted and steric-controlled selectivity in the Pd-catalyzed C-H/C-H oxidative coupling of indoles.
• Authors of publication: Vijaykumar, Muniyappa; Pradhan, Chandini; Gonnade, Rajesh G.; Punji, Benudhar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 89
• Pages of publication: 13028 - 13031
• a: 11.1926 ± 0.0003 Å
• b: 14.311 ± 0.0004 Å
• c: 15.3221 ± 0.0004 Å
• α: 74.279 ± 0.001°
• β: 75.916 ± 0.001°
• γ: 69.724 ± 0.001°
• Cell volume: 2185.49 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No