Information card for entry 7238420

Structure parameters

• Formula: C64 H76 Cl2 N6 O16
• Calculated formula: C64 H76 Cl2 N6 O16
• Title of publication: Anion templated assembly of [2]catenanes capable of chloride anion recognition in aqueous solvent media
• Authors of publication: Evans, Nicholas H.; Allinson, Emma S. H.; Lankshear, Michael D.; Ng, Ka-Yuen; Cowley, Andrew R.; Serpell, Christopher J.; Santos, Sérgio M.; Costa, Paulo J.; Félix, Vítor; Beer, Paul D.
• Journal of publication: RSC Advances
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 6
• Pages of publication: 995
• a: 17.303 ± 0.006 Å
• b: 9.051 ± 0.003 Å
• c: 43.048 ± 0.016 Å
• α: 90°
• β: 95.68 ± 0.003°
• γ: 90°
• Cell volume: 6709 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections: 0.2862
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.2862
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9782
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No