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Information card for entry 7158669
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Coordinates | 7158669.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H10 O5 |
---|---|
Calculated formula | C16 H10 O5 |
Title of publication | Pd-Catalyzed carbonylative lactonization of 2-halidearomatic aldehydes with H<sub>2</sub>O as a nucleophile. |
Authors of publication | Si, Min; Yan, Jiaqi; Ding, Yongzheng; Huang, Hanmin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2022 |
Journal volume | 20 |
Journal issue | 19 |
Pages of publication | 3917 - 3921 |
a | 15.3058 ± 0.0005 Å |
b | 6.108 ± 0.0002 Å |
c | 28.2912 ± 0.0009 Å |
α | 90° |
β | 101.503 ± 0.003° |
γ | 90° |
Cell volume | 2591.76 ± 0.15 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0444 |
Residual factor for significantly intense reflections | 0.0382 |
Weighted residual factors for significantly intense reflections | 0.0985 |
Weighted residual factors for all reflections included in the refinement | 0.1044 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0486 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 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/7158669.html
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Users of the data should acknowledge the original authors of the
structural data.