Information card for entry 7235493

Structure parameters

• Formula: C62 H80 N12 O14
• Calculated formula: C62 H80 N12 O14
• 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: 9.7515 ± 0.0002 Å
• b: 65.1244 ± 0.0016 Å
• c: 10.1151 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6423.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections: 0.1911
• Weighted residual factors for significantly intense reflections: 0.1855
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9502
• Diffraction radiation wavelength: 0.68889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No