Information card for entry 4078349

Structure parameters

• Formula: C48 H76 F Li N2 Si
• Calculated formula: C48 H76 F Li N2 Si
• SMILES: [Si]1(/C(=C(C(C)(C)C)/c2ccccc2)[Li]2([F]1)[N](CC[N]2(C)C)(C)C)(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: 11.1037 ± 0.0002 Å
• b: 11.8678 ± 0.0002 Å
• c: 19.2126 ± 0.0003 Å
• α: 87.28 ± 0.002°
• β: 86.519 ± 0.002°
• γ: 69.337 ± 0.002°
• Cell volume: 2363.62 ± 0.08 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.0956
• Goodness-of-fit parameter for all reflections: 1.02
• Goodness-of-fit parameter for significantly intense reflections: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No