Information card for entry 7118134

Structure parameters

• Formula: C122 H134 Cu4 N10 O46 S4
• Calculated formula: C122 H134 Cu4 N10 O46 S4
• 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: 14.751 ± 0.01 Å
• b: 17.672 ± 0.003 Å
• c: 19.46 ± 0.006 Å
• α: 102.82 ± 0.012°
• β: 107.63 ± 0.02°
• γ: 106.68 ± 0.02°
• Cell volume: 4358 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1069
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2474
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No