Information card for entry 7151052

Structure parameters

• Formula: C24 H33 N3 Si
• Calculated formula: C24 H33 N3 Si
• SMILES: [Si](N=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)(C)C
• Title of publication: Structural and theoretical investigation of 2-iminoimidazolines‒carbene analogues of iminophosphoranes.
• Authors of publication: Tamm, Matthias; Petrovic, Dejan; Randoll, Sören; Beer, Stephan; Bannenberg, Thomas; Jones, Peter G.; Grunenberg, Jörg
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 523 - 530
• a: 8.4729 ± 0.0001 Å
• b: 8.9346 ± 0.0001 Å
• c: 15.8498 ± 0.0003 Å
• α: 88.5376 ± 0.0006°
• β: 80.8585 ± 0.0006°
• γ: 83.8057 ± 0.0006°
• Cell volume: 1177.66 ± 0.03 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No