Information card for entry 1557925

Structure parameters

• Formula: C34 H36 Si
• Calculated formula: C34 H36 Si
• SMILES: [Si](C(C)C)(C(C)C)(C(C)C)C#CC#CC#CC(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.5423 ± 0.0011 Å
• b: 10.4335 ± 0.0014 Å
• c: 16.821 ± 0.002 Å
• α: 76.313 ± 0.005°
• β: 77.803 ± 0.005°
• γ: 83.761 ± 0.005°
• Cell volume: 1421 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No