Information card for entry 1513671

Structure parameters

• Formula: C34 H36.5 O3.25 Si
• Calculated formula: C33 H34 O2 Si
• SMILES: [Si](C(C)C)(C1=CC(=O)c2ccc3ccccc3c2C(=O)c2c1ccc1ccccc21)(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: 38.218 ± 0.008 Å
• b: 19.296 ± 0.004 Å
• c: 8.514 ± 0.0018 Å
• α: 90°
• β: 90.665 ± 0.004°
• γ: 90°
• Cell volume: 6278 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No