Information card for entry 2214797

Structure parameters

• Chemical name: 3-[3-(3-Pyridyloxy)pyrazin-2-yloxy]pyridinium perchlorate
• Formula: C14 H11 Cl N4 O6
• Calculated formula: C14 H11 Cl N4 O6
• SMILES: Cl(=O)(=O)(=O)[O-].O(c1nccnc1Oc1c[nH+]ccc1)c1cnccc1
• Title of publication: 3-[3-(3-Pyridyloxy)pyrazin-2-yloxy]pyridinium perchlorate
• Authors of publication: Li, Jin Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3651 - o3651
• a: 11.557 ± 0.003 Å
• b: 9.815 ± 0.002 Å
• c: 13.955 ± 0.003 Å
• α: 90°
• β: 100.444 ± 0.004°
• γ: 90°
• Cell volume: 1556.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1979
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.777
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes