Information card for entry 7154230

Structure parameters

• Formula: C26 H36 Cl N12 O0.5 S2
• Calculated formula: C26 H35 Cl N12 O0.5 S2
• Title of publication: Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.
• Authors of publication: Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1654 - 1661
• a: 10.391 ± 0.002 Å
• b: 16.944 ± 0.004 Å
• c: 18.9 ± 0.004 Å
• α: 107.255 ± 0.002°
• β: 90.906 ± 0.002°
• γ: 96.74 ± 0.002°
• Cell volume: 3151.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1459
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No