Information card for entry 4067506

Structure parameters

• Formula: C34 H30 O Si
• Calculated formula: C34 H30 O Si
• SMILES: c1cccc2c3ccccc3C(c12)(OC)C1=C([Si](C)(C)C)C2(c3ccccc3c3ccccc23)C=C1
• Title of publication: Different Reactivity Patterns of Trimethylsilyl- and Phenyl-Substituted Propargylallenes: Fe2(CO)9- and [Ag]±Promoted Cyclizations
• Authors of publication: Oulié, Pascal; Altes, Lena; Milosevic, Sandra; Bouteille, Romain; Müller-Bunz, Helge; McGlinchey, Michael J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 676
• a: 12.1774 ± 0.0013 Å
• b: 15.1205 ± 0.0016 Å
• c: 16.2574 ± 0.0017 Å
• α: 104.41 ± 0.002°
• β: 90.132 ± 0.002°
• γ: 112.246 ± 0.002°
• Cell volume: 2667.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No