Information card for entry 4132172

Structure parameters

• Formula: C27 H24 Cl N2 O3 Pd
• Calculated formula: C27 H24 Cl N2 O3 Pd
• Title of publication: C(alkenyl)-H Activation via Six-Membered Palladacycles: Catalytic 1,3-Diene Synthesis.
• Authors of publication: Liu, Mingyu; Yang, Pusu; Karunananda, Malkanthi K.; Wang, Yanyan; Liu, Peng; Engle, Keary M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 17
• Pages of publication: 5805 - 5813
• a: 10.0696 ± 0.0006 Å
• b: 10.1472 ± 0.0007 Å
• c: 11.9906 ± 0.0007 Å
• α: 110.579 ± 0.002°
• β: 96.643 ± 0.002°
• γ: 90.227 ± 0.002°
• Cell volume: 1137.98 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No