Information card for entry 4036340

Structure parameters

• Formula: C52 H72 S2 Si
• Calculated formula: C52 H72 S2 Si
• SMILES: S1CCSC1(C#C/C=C(C#C/C=C(\C#C/C=C(C#C/C=C(\C#C/C=C(C#C[Si](C)(C)C)/C(C)(C)C)C(C)(C)C)/C(C)(C)C)C(C)(C)C)/C(C)(C)C)C(C)(C)C
• Title of publication: Stereoselective Iterative Convergent Synthesis of Z-Oligodiacetylenes from Propargylic Dithioacetals.
• Authors of publication: Chen, Chih-Wei; Fan, Kunzeng; Chen, Chih-Hsien; Huang, Shou-Ling; Liu, Yi-Hung; Lim, Tsong-Shin; Wang, Guan-Wu; Luh, Tien-Yau
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 17
• Pages of publication: 8772 - 8781
• a: 41.33 ± 0.1 Å
• b: 10.25 ± 0.02 Å
• c: 11.98 ± 0.06 Å
• α: 90°
• β: 97.7 ± 0.4°
• γ: 90°
• Cell volume: 5029 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No