Information card for entry 2234554

Structure parameters

• Chemical name: Ethyl 2-[4,5-bis(butylsulfanyl)-1,3-dithiol-2-ylidene]- 1,3-dithiolo[4,5-<i>c</i>]pyrrole-4-carboxylate
• Formula: C19 H25 N O2 S6
• Calculated formula: C19 H25 N O2 S6
• Title of publication: Ethyl 2-[4,5-bis(butylsulfanyl)-1,3-dithiol-2-ylidene]-1,3-dithiolo[4,5-<i>c</i>]pyrrole-4-carboxylate
• Authors of publication: Li, Dong-Feng; Zhu, Xiao-Fei; Guan, Shuang; Hou, Rui-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1400
• a: 9.687 ± 0.003 Å
• b: 26.608 ± 0.009 Å
• c: 8.876 ± 0.005 Å
• α: 90°
• β: 108.408 ± 0.017°
• γ: 90°
• Cell volume: 2170.7 ± 1.6 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 5
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes