Information card for entry 1572882

Structure parameters

• Chemical name: 5,10-diphenyl-2,3,7,8-tetra(thiophen-2-yl)pyrazino[2,3-g]quinoxaline
• Formula: C38 H22 N4 S4
• Calculated formula: C38 H22 N4 S4
• Title of publication: Pyrazinoquinoxaline derivatives for flexible electronic devices: effect of mechanical properties of the crystals on device durability
• Authors of publication: Bezboruah, Jasmine; Khator, Kanha Ram; Gayen, Sayantan; Sanke, Devendra Mayurdhwaj; Mahapatra, Biplab; Sahoo, Anshuman; Nayak, Amlandeep; Reddy, Chilla Malla; Senanayak, Satyaprasad; Zade, Sanjio S.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 22.0664 ± 0.0002 Å
• b: 18.6023 ± 0.0002 Å
• c: 7.6331 ± 0.0001 Å
• α: 90°
• β: 98.659 ± 0.001°
• γ: 90°
• Cell volume: 3097.57 ± 0.06 ų
• Cell temperature: 273 ± 0.1 K
• Ambient diffraction temperature: 273 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No