Information card for entry 4129326

Structure parameters

• Formula: C27 H16 F12 N4 O4 Pd
• Calculated formula: C27 H16 F12 N4 O4 Pd
• Title of publication: Simultaneous chirality sensing of multiple amines by (19)F NMR.
• Authors of publication: Zhao, Yanchuan; Swager, Timothy M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 9
• Pages of publication: 3221 - 3224
• a: 11.3535 ± 0.0004 Å
• b: 15.0535 ± 0.0005 Å
• c: 16.8302 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2876.45 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No