Information card for entry 7048831

Structure parameters

• Formula: C92 H72 N2
• Calculated formula: C92 H72 N2
• Title of publication: Synthesis of (E)-1,4-disilsesquioxylsubstituted but-1-en-3-ynes via platinum-catalyzed dimerization of ethynylsiloxysilsesquioxanes.
• Authors of publication: Żak, Patrycja; Bołt, Małgorzata; Dudziec, Beata; Kubicki, Maciej
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 8
• Pages of publication: 2657 - 2663
• a: 9.659 ± 0.0002 Å
• b: 18.2142 ± 0.0004 Å
• c: 20.0321 ± 0.0004 Å
• α: 90°
• β: 97.331 ± 0.002°
• γ: 90°
• Cell volume: 3495.46 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1185
• 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