Information card for entry 4078352

Structure parameters

• Formula: C55 H70 O Si
• Calculated formula: C55 H70 O Si
• SMILES: [Si]1(C(=C(c2ccccc2)C(C)(C)C)C(c2ccccc2)(c2ccccc2)O1)(c1c(cc(cc1C(C)C)C(C)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: 18.1971 ± 0.0005 Å
• b: 15.4724 ± 0.0004 Å
• c: 16.8628 ± 0.0005 Å
• α: 90°
• β: 96.45 ± 0.002°
• γ: 90°
• Cell volume: 4717.7 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.0958
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No