Information card for entry 1554750

Structure parameters

• Formula: C280 H248 F24 N8 O27 P8 Pd4 S8
• Calculated formula: C280 H248 F24 N8 O27 P8 Pd4 S8
• Title of publication: Chiral self-sorting behaviour of [2.2]paracyclophane-based bis(pyridine) ligands
• Authors of publication: Anhäuser, J.; Puttreddy, R.; Lorenz, Y.; Schneider, A.; Engeser, M.; Rissanen, K.; Lützen, A.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1226
• a: 46.6905 ± 0.0008 Å
• b: 26.3232 ± 0.0003 Å
• c: 31.9982 ± 0.0005 Å
• α: 90°
• β: 97.75 ± 0.002°
• γ: 90°
• Cell volume: 38968 ± 1 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0992
• Residual factor for significantly intense reflections: 0.0815
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.2681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No