Information card for entry 4102707

Structure parameters

• Formula: C44 H59 Cl2 N3 Si
• Calculated formula: C44 H59 Cl2 N3 Si
• SMILES: [C]1N(C(=CN1c1c(cccc1C(C)C)C(C)C)[Si](NC12CC3CC(C1)CC(C2)C3)(Cl)Cl)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1
• Title of publication: A Facile Route to Functionalized N-Heterocyclic Carbenes (NHCs) with NHC Base-Stabilized Dichlorosilylene
• Authors of publication: Rajendra S. Ghadwal; Herbert W. Roesky; Markus Granitzka; Dietmar Stalke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 10018 - 10020
• a: 11.4299 ± 0.0009 Å
• b: 12.082 ± 0.001 Å
• c: 15.5 ± 0.0013 Å
• α: 106.613 ± 0.001°
• β: 100.313 ± 0.002°
• γ: 90.68 ± 0.002°
• Cell volume: 2013.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No