Information card for entry 7109187

Structure parameters

• Formula: C15 H14 Cl N3 O6
• Calculated formula: C15 H14 Cl N3 O6
• Title of publication: Water soluble triazolopyridiniums as tunable blue light emitters
• Authors of publication: Xin Su; Matthew D. Liptak; Ivan Aprahamian
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4160
• a: 13.7923 ± 0.0007 Å
• b: 5.9508 ± 0.0003 Å
• c: 19.9335 ± 0.0011 Å
• α: 90°
• β: 100.54 ± 0.001°
• γ: 90°
• Cell volume: 1608.44 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No