Information card for entry 7122554

Structure parameters

• Formula: C128 H124 B14 F24 N24 O16 Pd2
• Calculated formula: C128 H124 B14 F24 N24 O16 Pd2
• Title of publication: Helicity adaptation within a quadruply stranded helicate by encapsulation.
• Authors of publication: Lin, Qi; Gao, Lei; Kauffmann, Brice; Zhang, Jiajia; Ma, Chunmiao; Luo, Dan; Gan, Quan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 95
• Pages of publication: 13447 - 13450
• a: 19.8811 ± 0.0009 Å
• b: 22.8682 ± 0.0011 Å
• c: 44.582 ± 0.002 Å
• α: 90°
• β: 94.821 ± 0.003°
• γ: 90°
• Cell volume: 20197.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 7
• 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: 0.1294
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2969
• Weighted residual factors for all reflections included in the refinement: 0.3188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No