Information card for entry 2242057

Structure parameters

• Chemical name: <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-Tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide
• Formula: C32 H28 N10 O4
• Calculated formula: C32 H28 N10 O4
• SMILES: O=C(NCc1ncccc1)c1nc(c(nc1C(=O)NCc1ncccc1)C(=O)NCc1ncccc1)C(=O)NCc1ncccc1
• Title of publication: Crystal structures of <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-2-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide and <i>N</i>^2^,<i>N</i>^3^,<i>N</i>^5^,<i>N</i>^6^-tetrakis(pyridin-4-ylmethyl)pyrazine-2,3,5,6-tetracarboxamide
• Authors of publication: Cati, Dilovan S.; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 2
• Pages of publication: 300 - 305
• a: 16.0754 ± 0.0019 Å
• b: 11.8602 ± 0.001 Å
• c: 18.495 ± 0.002 Å
• α: 90°
• β: 115.503 ± 0.013°
• γ: 90°
• Cell volume: 3182.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• 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: 0.1633
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 0.719
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes