Information card for entry 1513672

Structure parameters

• Formula: C33 H36 Si
• Calculated formula: C33 H36 Si
• SMILES: [Si](C(C)C)(C1C2=C(c3c4ccccc4ccc3C2)c2c3ccccc3ccc12)(C(C)C)C(C)C
• Title of publication: Pentalenes with novel topologies: exploiting the cascade carbopalladation reaction between alkynes and gem-dibromoolefins
• Authors of publication: London, Gábor; von Wantoch Rekowski, Margarete; Dumele, Oliver; Schweizer, W. Bernd; Gisselbrecht, Jean-Paul; Boudon, Corinne; Diederich, François
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 965
• a: 8.8447 ± 0.0004 Å
• b: 18.3363 ± 0.0009 Å
• c: 17.4324 ± 0.0006 Å
• α: 90°
• β: 114.902 ± 0.002°
• γ: 90°
• Cell volume: 2564.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.15 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: 0.059
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No