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Information card for entry 4116995
Preview
Coordinates | 4116995.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H26 I2 |
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Calculated formula | C24 H26 I2 |
SMILES | I/C(=C(I)\C#Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C |
Title of publication | Reactions of (tert-Butyldimethylsilyl)alkynes with IPy2BF4: Selective Synthesis of Novel Head-to-Head Dimers |
Authors of publication | José Barluenga; Isidro Llorente; Lorenzo J. Alvarez-García; José M. González; Pedro J. Campos; M. Rosario Díaz; Santiago García-Granda |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1997 |
Journal volume | 119 |
Pages of publication | 6933 - 6934 |
a | 35.79 ± 0.008 Å |
b | 10.502 ± 0.005 Å |
c | 12.401 ± 0.003 Å |
α | 90° |
β | 95.66 ± 0.02° |
γ | 90° |
Cell volume | 4638 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1325 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for all reflections | 0.1634 |
Weighted residual factors for significantly intense reflections | 0.1524 |
Goodness-of-fit parameter for all reflections | 0.894 |
Goodness-of-fit parameter for significantly intense reflections | 1.222 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4116995.html
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structural data.