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Information card for entry 4129033
Preview
Coordinates | 4129033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H17 I O |
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Calculated formula | C22 H17 I O |
SMILES | IC1=C(C2(c3c1cccc3)C(=CC(=O)C=C2C)C)c1ccccc1 |
Title of publication | Glycosylation with 3,5-Dimethyl-4-(2'-phenylethynylphenyl)phenyl (EPP) Glycosides via a Dearomative Activation Mechanism. |
Authors of publication | Hu, Zhifei; Tang, Yu; Yu, Biao |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2019 |
Journal volume | 141 |
Journal issue | 12 |
Pages of publication | 4806 - 4810 |
a | 11.4777 ± 0.0005 Å |
b | 11.7014 ± 0.0005 Å |
c | 15.3255 ± 0.0006 Å |
α | 97.482 ± 0.001° |
β | 90.147 ± 0.001° |
γ | 118.95 ± 0.001° |
Cell volume | 1780.65 ± 0.13 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0266 |
Residual factor for significantly intense reflections | 0.0216 |
Weighted residual factors for significantly intense reflections | 0.0518 |
Weighted residual factors for all reflections included in the refinement | 0.055 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
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/4129033.html
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Users of the data should acknowledge the original authors of the
structural data.