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Information card for entry 7229415
Preview
| Coordinates | 7229415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H19 N O |
|---|---|
| Calculated formula | C19 H19 N O |
| SMILES | c12ccc(cc1C(CO2)(C)CC#Cc1cccc(N)c1)C |
| Title of publication | Microwave assisted domino heck cyclization and alkynylation: synthesis of alkyne substituted dihydrobenzofurans |
| Authors of publication | Karu, Ramesh; Gedu, Satyanarayana |
| Journal of publication | Green Chemistry |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 2 |
| Pages of publication | 369 |
| a | 14.0947 ± 0.0004 Å |
| b | 5.86763 ± 0.00014 Å |
| c | 18.4634 ± 0.0005 Å |
| α | 90° |
| β | 97.511 ± 0.003° |
| γ | 90° |
| Cell volume | 1513.87 ± 0.07 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1844 |
| Weighted residual factors for all reflections included in the refinement | 0.2002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.2425 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229415.cif |
| 230098 | 2019-11-17 | cif/ Updating files of 7229415 Original log message: Adding full bibliography for 7229415.cif. |
7229415.cif |
| 206958 | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7229415.cif |
| 202396 | 2017-10-28 | cif/ Adding structures of 7229415 via cif-deposit CGI script. |
7229415.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.