Information card for entry 7233615

Structure parameters

• Formula: C48 H50 Cl6 N4 O2 S4
• Calculated formula: C48 H50 Cl6 N4 O2 S4
• Title of publication: Conjugated electron donor-acceptor molecules with (E)-[4,4'-biimidazolylidene]-5,5'(1H,1'H)-dione for new organic semiconductors
• Authors of publication: Jianguo Wang; Xin Chen; Guanxin Zhang; Zitong Liu; Deqing Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 1149 - 1157
• a: 11.408 ± 0.002 Å
• b: 19.62 ± 0.004 Å
• c: 11.72 ± 0.002 Å
• α: 90°
• β: 106.43 ± 0.03°
• γ: 90°
• Cell volume: 2516.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1088
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2495
• Weighted residual factors for all reflections included in the refinement: 0.2682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No