Information card for entry 7121706

Structure parameters

• Formula: C148 H136 Cl4 N12 O2 Pd2
• Calculated formula: C148 H136 Cl4 N12 O2 Pd2
• Title of publication: Foldamer-based helicate displaying reversible switching between two distinct conformers.
• Authors of publication: Jeon, Hae-Geun; Lee, Hyun Kyung; Lee, Seungwon; Jeong, Kyu-Sung
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 45
• Pages of publication: 5740 - 5743
• a: 16.792 ± 0.002 Å
• b: 23.687 ± 0.002 Å
• c: 39.551 ± 0.003 Å
• α: 73.077 ± 0.002°
• β: 84.189 ± 0.003°
• γ: 81.24 ± 0.004°
• Cell volume: 14848 ± 2 ų
• Cell temperature: 100 ± 2 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: 0.1448
• Residual factor for significantly intense reflections: 0.0925
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No