Information card for entry 1557620

Structure parameters

• Chemical name: 2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine
• Formula: C30 H22 N4
• Calculated formula: C30 H22 N4
• SMILES: c1(c(c2ccccn2)nc(c(n1)c1ccccn1)/C=C/c1ccccc1)/C=C/c1ccccc1
• Title of publication: 2,5-Bis[(<i>E</i>)-2-phenylethenyl]-3,6-bis(pyridin-2-yl)pyrazine
• Authors of publication: Detert, Heiner; Jochem, Matthias; Schollmeyer, Dieter
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 3
• a: 7.0953 ± 0.0008 Å
• b: 8.931 ± 0.0008 Å
• c: 18.219 ± 0.002 Å
• α: 90°
• β: 95.49 ± 0.009°
• γ: 90°
• Cell volume: 1149.2 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes