Information card for entry 2215177

Structure parameters

• Chemical name: (Z)-Methyl 2-(1,3-dithian-2-ylidene)-4-(triphenylstannyl)but-3-enoate
• Formula: C27 H26 O2 S2 Sn
• Calculated formula: C27 H26 O2 S2 Sn
• SMILES: [Sn](\C=C/C(=C1/SCCCS1)C(=O)OC)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: (<i>Z</i>)-Methyl 2-(1,3-dithian-2-ylidene)-4-(triphenylstannyl)but-3-enoate
• Authors of publication: Chao-Guang Zhu; Dong-Sheng Zhu; Xiao-Yan Wu; Yan-Hua Wang; Da-Feng Du
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2346 - m2346
• a: 8.17 ± 0.004 Å
• b: 14.25 ± 0.007 Å
• c: 21.171 ± 0.009 Å
• α: 90°
• β: 95.871 ± 0.009°
• γ: 90°
• Cell volume: 2452 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0534
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes