Information card for entry 7235492

Structure parameters

• Formula: C37 H44 N6 O8
• Calculated formula: C37 H44 N6 O8
• 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: 10.4843 ± 0.0002 Å
• b: 12.9226 ± 0.0003 Å
• c: 14.6707 ± 0.0004 Å
• α: 101.953 ± 0.001°
• β: 99.7473 ± 0.001°
• γ: 99.329 ± 0.001°
• Cell volume: 1875.98 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections: 0.1922
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No