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Information card for entry 4132099
Preview
Coordinates | 4132099.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H18 N2 O10 |
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Calculated formula | C26 H18 N2 O10 |
SMILES | O1C(OC(=O)c2ccc(N(=O)=O)cc2)(C(=C(C1=O)C)c1ccccc1OC(=O)c1ccc(N(=O)=O)cc1)C |
Title of publication | Visible-Light-Driven Alkyne Hydro-/Carbocarboxylation Using CO<sub>2</sub> via Iridium/Cobalt Dual Catalysis for Divergent Heterocycle Synthesis. |
Authors of publication | Hou, Jing; Ee, Aloysius; Feng, Wei; Xu, Jin-Hui; Zhao, Yu; Wu, Jie |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 15 |
Pages of publication | 5257 - 5263 |
a | 7.3408 ± 0.0003 Å |
b | 11.2168 ± 0.0005 Å |
c | 14.4712 ± 0.0007 Å |
α | 102.926 ± 0.002° |
β | 91.521 ± 0.002° |
γ | 98.753 ± 0.002° |
Cell volume | 1145.57 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0383 |
Residual factor for significantly intense reflections | 0.031 |
Weighted residual factors for significantly intense reflections | 0.0742 |
Weighted residual factors for all reflections included in the refinement | 0.0835 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4132099.html
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