Information card for entry 7228900

Structure parameters

• Formula: C18 H14 N4 S2
• Calculated formula: C18 H14 N4 S2
• Title of publication: 2,6-Di(thiophenyl)-1,5-dihydrodipyrrolopyrazine (DT-DPP) structural isomers as donor‒acceptor‒donor molecules and their optoelectronic investigation
• Authors of publication: Meti, Puttavva; Gong, Young-Dae
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 62
• Pages of publication: 39228
• a: 9.1901 ± 0.0002 Å
• b: 9.9832 ± 0.0002 Å
• c: 9.6509 ± 0.0002 Å
• α: 90°
• β: 115.463 ± 0.001°
• γ: 90°
• Cell volume: 799.43 ± 0.03 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• 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: 0.0601
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No