Information card for entry 7122552

Structure parameters

• Formula: C136 H140 B4 F20 N30 O14 Pd2
• Calculated formula: C136 H136 B4 F20 N28 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: 17.0266 ± 0.0002 Å
• b: 17.8919 ± 0.0005 Å
• c: 18.1716 ± 0.0006 Å
• α: 74.712 ± 0.01°
• β: 66.581 ± 0.008°
• γ: 78.682 ± 0.009°
• Cell volume: 4873.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2279
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No