Information card for entry 1505653

Structure parameters

• Formula: C44 H36 S2 Si2
• Calculated formula: C44 H36 S2 Si2
• SMILES: S(/C(=C(SC)\C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C
• Title of publication: Synthesis and properties of 1-methylthiopropargylammonium salts and their use as key precursors to sulfur-containing enediynes.
• Authors of publication: Murai, Toshiaki; Fukushima, Kozue; Mutoh, Yuichiro
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5295 - 5298
• a: 8.861 ± 0.003 Å
• b: 9.632 ± 0.004 Å
• c: 11.954 ± 0.005 Å
• α: 83.02 ± 0.01°
• β: 79.53 ± 0.01°
• γ: 71.495 ± 0.009°
• Cell volume: 949.2 ± 0.6 ų
• Cell temperature: 253.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No