Information card for entry 2243295

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[Pyrazine-2,3,5,6\ tetrayltetrakis(methylene)]tetrakis(<i>N</i>-methylaniline)
• Formula: C36 H40 N6
• Calculated formula: C36 H40 N6
• SMILES: c1(CN(c2ccccc2)C)nc(c(CN(c2ccccc2)C)nc1CN(c1ccccc1)C)CN(c1ccccc1)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: 8.6753 ± 0.001 Å
• b: 8.916 ± 0.0011 Å
• c: 10.0631 ± 0.001 Å
• α: 85.774 ± 0.01°
• β: 73.468 ± 0.011°
• γ: 82.467 ± 0.011°
• Cell volume: 739.21 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes