Information card for entry 2243294

Structure parameters

• Chemical name: 1,1',1'',1'''-(Pyrazine-2,3,5,6-tetrayl)tetrakis(<i>N</i>,<i>N</i>-dimethylmethanamine)
• Formula: C16 H32 N6
• Calculated formula: C16 H32 N6
• SMILES: c1(CN(C)C)nc(CN(C)C)c(CN(C)C)nc1CN(C)C
• Title of publication: Crystal structures and Hirshfeld surface analyses of two new tetrakis-substituted pyrazines and a degredation product
• Authors of publication: Tesouro Vallina, Ana; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 404 - 409
• a: 9.7577 ± 0.0014 Å
• b: 10.348 ± 0.002 Å
• c: 9.9118 ± 0.0016 Å
• α: 90°
• β: 101.663 ± 0.015°
• γ: 90°
• Cell volume: 980.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1108
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes