Information card for entry 4130369

Structure parameters

• Formula: C31 H38 N2 Si
• Calculated formula: C31 H38 N2 Si
• SMILES: [SiH](=C1N(C(=C(N1C)C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Activation of 7-Silanorbornadienes by N-Heterocyclic Carbenes: A Selective Way to N-Heterocyclic-Carbene-Stabilized Silylenes.
• Authors of publication: Lutters, Dennis; Severin, Claudia; Schmidtmann, Marc; Müller, Thomas
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 18
• Pages of publication: 6061 - 6067
• a: 8.3788 ± 0.0007 Å
• b: 13.7166 ± 0.0013 Å
• c: 23.034 ± 0.002 Å
• α: 90°
• β: 97.494 ± 0.003°
• γ: 90°
• Cell volume: 2624.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No