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Information card for entry 7115777
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Coordinates | 7115777.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H49 Cl N4 Si |
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Calculated formula | C38 H49 Cl N4 Si |
SMILES | [Cl-].[Si+](c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(=C1N(C(=C(N1C)C)C)C)=C1N(C(=C(N1C)C)C)C |
Title of publication | A facile access to a novel NHC-stabilized silyliumylidene ion and C-H activation of phenylacetylene |
Authors of publication | Syed Usman Ahmad; Tibor Szilvasi; Shigeyoshi Inoue |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 12619 |
a | 15.3901 ± 0.0004 Å |
b | 14.1529 ± 0.0003 Å |
c | 16.9834 ± 0.0005 Å |
α | 90° |
β | 110.025 ± 0.003° |
γ | 90° |
Cell volume | 3475.59 ± 0.17 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.056 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1343 |
Weighted residual factors for all reflections included in the refinement | 0.1415 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7115777.html
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