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Information card for entry 7158372
Preview
| Coordinates | 7158372.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H13 F3 O2 |
|---|---|
| Calculated formula | C22 H13 F3 O2 |
| SMILES | Fc1ccc2c(oc(=O)c(c2c2ccccc2)C(F)(F)c2ccccc2)c1 |
| Title of publication | Copper-catalyzed cascade radical cyclization of alkynoates: construction of aryldifluoromethylated coumarins. |
| Authors of publication | Zeng, Piaopiao; Huang, Xiaoxiao; Tang, Wei; Chen, Zhiwei |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 46 |
| Pages of publication | 10223 - 10227 |
| a | 14.104 ± 0.0006 Å |
| b | 15.1682 ± 0.0009 Å |
| c | 24.3684 ± 0.0012 Å |
| α | 90° |
| β | 102.661 ± 0.002° |
| γ | 90° |
| Cell volume | 5086.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.0856 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7158371 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
7158372.cif |
| 271218 | 2021-12-07 | cif/ Updating files of 7158371, 7158372 Original log message: Adding full bibliography for 7158371--7158372.cif. |
7158372.cif |
| 270191 | 2021-11-02 | cif/ Adding structures of 7158371, 7158372 via cif-deposit CGI script. |
7158372.cif |
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