Information card for entry 7235275

Structure parameters

• Common name: 24b
• Chemical name: 24b
• Formula: C15 H8 N2 O5 S4
• Calculated formula: C15 H8 N2 O5 S4
• Title of publication: Straightforward access to aryl-substituted/fused 1,3-dithiole-2-chalcogenones by Cu-catalyzed C–S coupling between aryl iodides and zinc–thiolate complex (TBA)2[Zn(DMIT)2]
• Authors of publication: Sun, Jibin; Lu, Xiaofeng; Shao, Jiafeng; Cui, Zili; Shao, Yu; Jiang, Guiyang; Yu, Wei; Shao, Xiangfeng
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 26
• Pages of publication: 10193
• a: 11.066 ± 0.012 Å
• b: 11.928 ± 0.013 Å
• c: 13.426 ± 0.014 Å
• α: 78.033 ± 0.01°
• β: 89.127 ± 0.01°
• γ: 86.984 ± 0.009°
• Cell volume: 1731 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No