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Information card for entry 4104527
Preview
Coordinates | 4104527.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H21 N O2 Si |
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Calculated formula | C16 H21 N O2 Si |
SMILES | [Si](C)(C)(C)[C@@]12CC[C@@H](C(=O)N(C1=O)c1ccccc1)C2 |
Title of publication | Bridgehead Lithiation-Substitution of Bridged Ketones, Lactones, Lactams, and Imides: Experimental Observations and Computational Insights |
Authors of publication | Christopher J. Hayes; Nigel S. Simpkins; Douglas T. Kirk; Lee Mitchell; Jerome Baudoux; Alexander J. Blake; Claire Wilson |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 8196 - 8210 |
a | 6.1361 ± 0.0009 Å |
b | 20.097 ± 0.003 Å |
c | 25.013 ± 0.004 Å |
α | 90° |
β | 91.633 ± 0.002° |
γ | 90° |
Cell volume | 3083.3 ± 0.8 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0607 |
Weighted residual factors for significantly intense reflections | 0.1445 |
Weighted residual factors for all reflections included in the refinement | 0.1523 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4104527.html
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