Information card for entry 7118132

Structure parameters

• Formula: C120 H108 Cu4 D24 N8 O46 S8
• Calculated formula: C120 H108 Cu4 D24 N8 O46 S8
• Title of publication: Self-selecting homochiral quadruple-stranded helicates and control of supramolecular chirality.
• Authors of publication: Boer, Stephanie A.; Turner, David R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 98
• Pages of publication: 17375 - 17378
• a: 15.638 ± 0.003 Å
• b: 15.832 ± 0.0006 Å
• c: 18.482 ± 0.0019 Å
• α: 72.648 ± 0.007°
• β: 65.229 ± 0.003°
• γ: 89.532 ± 0.012°
• Cell volume: 3929.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.2378
• Weighted residual factors for all reflections included in the refinement: 0.2555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No