Information card for entry 4078350

Structure parameters

• Formula: C42 H60 Si
• Calculated formula: C42 H60 Si
• SMILES: [Si]1(c2c(cc(cc2C(C)C)C(C)C)C1(C)C)(/C=C(c1ccccc1)/C(C)(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: Synthesis and Reactivity of Several Stable 1-Silaallenes
• Authors of publication: Trommer, Martin; Miracle, Gary E.; Eichler, Barrett E.; Powell, Douglas R.; West, Robert
• Journal of publication: Organometallics
• Year of publication: 1997
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 5737
• a: 19.1204 ± 0.0005 Å
• b: 19.6814 ± 0.0006 Å
• c: 10.2646 ± 0.0003 Å
• α: 90°
• β: 95.171 ± 0.002°
• γ: 90°
• Cell volume: 3847.01 ± 0.19 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0907
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections: 0.1739
• Weighted residual factors for significantly intense reflections: 0.154
• Goodness-of-fit parameter for all reflections: 1.038
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No