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Information card for entry 7241591
Preview
| Coordinates | 7241591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H33 F N2 O2 |
|---|---|
| Calculated formula | C38 H33 F N2 O2 |
| SMILES | O=C(N[C@@H](C)c1cc2ccccc2cc1)c1ccccc1.Fc1ccc(C(=O)N[C@H](C)c2cc3ccccc3cc2)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 | 9.8518 ± 0.0004 Å |
| b | 10.2278 ± 0.0004 Å |
| c | 15.3791 ± 0.0004 Å |
| α | 76.292 ± 0.002° |
| β | 88.604 ± 0.002° |
| γ | 72.362 ± 0.001° |
| Cell volume | 1432.83 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7241591.cif |
| 261589 | 2021-02-05 | cif/ Updating files of 7241590, 7241591, 7241592, 7241593, 7241594, 7241595, 7241596 Original log message: Adding full bibliography for 7241590--7241596.cif. |
7241591.cif |
| 259321 | 2020-11-29 | cif/ Adding structures of 7241590, 7241591, 7241592, 7241593, 7241594, 7241595, 7241596 via cif-deposit CGI script. |
7241591.cif |
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Users of the data should acknowledge the original authors of the
structural data.