Information card for entry 4114448

Structure parameters

• Formula: C19 H35 N O Si W
• Calculated formula: C19 H35 N O Si W
• SMILES: [W]12345(N=O)([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)(C[CH]5=C(C)C)C[Si](C)(C)C
• Title of publication: Thermal Activation of Hydrocarbon C-H Bonds Initiated by a Tungsten Allyl Complex
• Authors of publication: Stephen H. K. Ng; Craig S. Adams; Trevor W. Hayton; Peter Legzdins; Brian O. Patrick
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15210 - 15223
• a: 15.3944 ± 0.0006 Å
• b: 8.4977 ± 0.0003 Å
• c: 32.326 ± 0.001 Å
• α: 90°
• β: 90.753 ± 0.003°
• γ: 90°
• Cell volume: 4228.4 ± 0.3 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 6
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections: 1.597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.597
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No