Information card for entry 4038321

Structure parameters

• Formula: C95 H94 N10 S4
• Calculated formula: C95 H94 N10 S4
• Title of publication: Synthesis of Pyrazinopyrazine-Fused Azaacenes through Direct Condensation Reactions between Quinoxalinediamine and Diketones.
• Authors of publication: Yuan, Yuping; Lo, Kin-Cheung; Szeto, Lap; Chan, Wai-Kin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 7.976 ± 0.003 Å
• b: 11.054 ± 0.004 Å
• c: 22.319 ± 0.007 Å
• α: 79.904 ± 0.009°
• β: 80.498 ± 0.01°
• γ: 82.348 ± 0.009°
• Cell volume: 1899.7 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No