Information card for entry 7118135

Structure parameters

• Formula: C98.5 H91.5 Cu4 N11.5 O49 S4
• Calculated formula: C98.5 H89.5 Cu4 N11.5 O49 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: 16.094 ± 0.003 Å
• b: 20.448 ± 0.004 Å
• c: 20.371 ± 0.004 Å
• α: 90°
• β: 101.2 ± 0.03°
• γ: 90°
• Cell volume: 6576 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0758
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.2199
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No