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Information card for entry 4133640
Preview
Coordinates | 4133640.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H45 N5 O2 Si |
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Calculated formula | C27 H45 N5 O2 Si |
SMILES | [Si](c1nc(ncc1)N1CCN(CC1)CCCCN1C(=O)CC2(CC1=O)CCCC2)(CC)(CC)CC |
Title of publication | A Mild and Direct Site-Selective sp<sup>2</sup> C-H Silylation of (Poly)Azines. |
Authors of publication | Gu, Yiting; Shen, Yangyang; Zarate, Cayetana; Martin, Ruben |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 1 |
Pages of publication | 127 - 132 |
a | 7.1983 ± 0.0007 Å |
b | 11.583 ± 0.0012 Å |
c | 17.2442 ± 0.0018 Å |
α | 101.815 ± 0.003° |
β | 94.813 ± 0.003° |
γ | 99.388 ± 0.003° |
Cell volume | 1378.2 ± 0.2 Å3 |
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 | 0.0874 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1654 |
Weighted residual factors for all reflections included in the refinement | 0.1852 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4133640.html
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