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Information card for entry 7241590
Preview
| Coordinates | 7241590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H16 N2 O3 |
|---|---|
| Calculated formula | C19 H16 N2 O3 |
| SMILES | O=C(NC(C)c1cc2ccccc2cc1)c1ccc(N(=O)=O)cc1 |
| Title of publication | Increasing the structural boundary of quasiracemate formation: 4-substituted naphthylamides |
| Authors of publication | Craddock, Drew E.; Parks, McKenzie J.; Taylor, Lauren A.; Wagner, Benjamin L.; Ruf, Michael; Wheeler, Kraig A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 1 |
| Pages of publication | 210 - 215 |
| a | 5.2267 ± 0.0002 Å |
| b | 28.5292 ± 0.0012 Å |
| c | 10.3735 ± 0.0005 Å |
| α | 90° |
| β | 93.071 ± 0.003° |
| γ | 90° |
| Cell volume | 1544.61 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0667 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 261589 (current) | 2021-02-05 | cif/ Updating files of 7241590, 7241591, 7241592, 7241593, 7241594, 7241595, 7241596 Original log message: Adding full bibliography for 7241590--7241596.cif. |
7241590.cif |
| 259321 | 2020-11-29 | cif/ Adding structures of 7241590, 7241591, 7241592, 7241593, 7241594, 7241595, 7241596 via cif-deposit CGI script. |
7241590.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.