Information card for entry 7154231

Structure parameters

• Formula: C25 H36 Cl N13 S2
• Calculated formula: C25 H36 Cl N13 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: 10.1456 ± 0.0007 Å
• b: 15.6738 ± 0.0011 Å
• c: 19.0361 ± 0.0013 Å
• α: 91.48 ± 0.005°
• β: 97.78 ± 0.005°
• γ: 94.128 ± 0.005°
• Cell volume: 2989.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1201
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2159
• Weighted residual factors for all reflections included in the refinement: 0.2484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No