Information card for entry 1557924

Structure parameters

• Formula: C43 H31 Cl3 Si2
• Calculated formula: C43 H31 Cl3 Si2
• SMILES: [Si](c1ccccc1)(c1ccccc1)(c1ccccc1)C#CC#CC#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Expedient synthesis of conjugated triynes via alkyne metathesis
• Authors of publication: Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4934 - 4938
• a: 10.4193 ± 0.0006 Å
• b: 21.2154 ± 0.0012 Å
• c: 17.2115 ± 0.0008 Å
• α: 90°
• β: 99.801 ± 0.002°
• γ: 90°
• Cell volume: 3749.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No