Information card for entry 4123182

Structure parameters

• Formula: C36 H24 F6 N2 O10 Pd
• Calculated formula: C36 H24 F6 N2 O10 Pd
• Title of publication: Chemoselective Activation of sp(3) vs sp(2) C-H Bonds with Pd(II).
• Authors of publication: Curto, John M.; Kozlowski, Marisa C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 18 - 21
• a: 17.9656 ± 0.0011 Å
• b: 9.6793 ± 0.0007 Å
• c: 21.8956 ± 0.0012 Å
• α: 90°
• β: 91.748 ± 0.003°
• γ: 90°
• Cell volume: 3805.8 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.2554
• Weighted residual factors for all reflections included in the refinement: 0.2578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No