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Information card for entry 7121438
Preview
| Coordinates | 7121438.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H19 N3 O3 |
|---|---|
| Calculated formula | C26 H19 N3 O3 |
| Title of publication | Copper-mediated regioselective C-H etherification of naphthylamides with arylboronic acids using water as an oxygen source. |
| Authors of publication | Roy, Subhasish; Pradhan, Sourav; Punniyamurthy, Tharmalingam |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 31 |
| Pages of publication | 3899 - 3902 |
| a | 8.8838 ± 0.0006 Å |
| b | 8.9296 ± 0.0011 Å |
| c | 13.3506 ± 0.0008 Å |
| α | 97.838 ± 0.007° |
| β | 98.644 ± 0.005° |
| γ | 91.067 ± 0.008° |
| Cell volume | 1036.45 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7121438.cif |
| 228427 | 2019-11-17 | cif/ Updating files of 7121438 Original log message: Adding full bibliography for 7121438.cif. |
7121438.cif |
| 207112 | 2018-03-27 | cif/ Adding structures of 7121438 via cif-deposit CGI script. |
7121438.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.