Information card for entry 7235498

Structure parameters

• Formula: C34 H38 Cl3 N7 O7
• Calculated formula: C34 H38 Cl3 N7 O7
• Title of publication: Bis-triazolium containing macrocycles, pseudorotaxanes and interlocked structures for anion recognition
• Authors of publication: White, Nicholas G.; Lovett, Henry G.; Beer, Paul D.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 24
• Pages of publication: 12133
• a: 10.3622 ± 0.0005 Å
• b: 13.2701 ± 0.0007 Å
• c: 14.1184 ± 0.0008 Å
• α: 103.541 ± 0.003°
• β: 97.069 ± 0.003°
• γ: 103.083 ± 0.002°
• Cell volume: 1806.37 ± 0.17 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1332
• Residual factor for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections: 0.2184
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No