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Information card for entry 1544366
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Coordinates | 1544366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H19 I |
---|---|
Calculated formula | C26 H19 I |
SMILES | Ic1c(c2c(C=C(c3ccccc3)c3ccccc3)cccc2)cccc1 |
Title of publication | Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange. |
Authors of publication | Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 21 |
Pages of publication | 5756 - 5759 |
a | 16.0575 ± 0.0012 Å |
b | 11.4137 ± 0.0009 Å |
c | 21.6746 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3972.4 ± 0.5 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0681 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1044 |
Weighted residual factors for all reflections included in the refinement | 0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.203 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1544366.html
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structural data.