Information card for entry 2200253

Structure parameters

• Chemical name: 2,3-bis(2-pyridinio)-5,8-dimethoxyquinoxaline dinitrate
• Formula: C20 H18 N6 O8
• Calculated formula: C20 H18 N6 O8
• SMILES: n1c(c(nc2c(OC)ccc(OC)c12)c1[nH+]cccc1)c1[nH+]cccc1.O=N(=O)[O-].O=N(=O)[O-]
• Title of publication: 2,3-Bis(2-pyridinio)-5,8-dimethoxyquinoxaline dinitrate
• Authors of publication: He Liu; Miao Du; Ya-Mei Guo; Xian-He Bu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: o372 - o374
• a: 16.138 ± 0.0013 Å
• b: 7.2682 ± 0.0006 Å
• c: 18.0257 ± 0.0015 Å
• α: 90°
• β: 104.344 ± 0.002°
• γ: 90°
• Cell volume: 2048.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes