Information card for entry 7235497

Structure parameters

• Formula: C37 H47.5 N12.5 O8
• Calculated formula: C37 H47.5 N12.5 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: 9.297 ± 0.01 Å
• b: 12.385 ± 0.011 Å
• c: 18.544 ± 0.016 Å
• α: 71.43 ± 0.03°
• β: 83.52 ± 0.03°
• γ: 83.86 ± 0.04°
• Cell volume: 2005 ± 3 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: 0.1618
• Residual factor for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections: 0.2467
• Weighted residual factors for significantly intense reflections: 0.2158
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9231
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No