Information card for entry 7151053

Structure parameters

• Formula: C30 H45 N3 Si
• Calculated formula: C30 H45 N3 Si
• SMILES: [Si](N=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(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: 9.617 ± 0.0008 Å
• b: 12.462 ± 0.001 Å
• c: 25.214 ± 0.002 Å
• α: 88.322 ± 0.002°
• β: 84.261 ± 0.002°
• γ: 79.785 ± 0.002°
• Cell volume: 2958.8 ± 0.4 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 ± 2 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: 0.1118
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No