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Information card for entry 7155818
Preview
| Coordinates | 7155818.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | N-Phenyl-1,8-naphthalimide Derived Trogers base |
|---|---|
| Formula | C40 H26 Cl2 N4 O4 |
| Calculated formula | C40 H26 Cl2 N4 O4 |
| SMILES | ClCCl.O=C1N(c2ccccc2)C(=O)c2cc3c(N4Cc5cc6c7c(cccc7c5N(C3)C4)C(=O)N(C6=O)c3ccccc3)c3cccc1c23 |
| Title of publication | One-pot facile synthesis of 4-amino-1,8-naphthalimide derived Tröger’s bases via a nucleophilic displacement approach |
| Authors of publication | Gunnlaugsson, Thorfinnur; Shanmugaraju, Sankarasekaran; McAdams, Deirdre; Pancotti, Francesca; Hawes, Chris Samuel; Veale, Emma; Kitchen, Jonathan A. |
| Journal of publication | Org. Biomol. Chem. |
| Year of publication | 2017 |
| a | 10.406 ± 0.002 Å |
| b | 11.383 ± 0.003 Å |
| c | 13.621 ± 0.003 Å |
| α | 83.448 ± 0.009° |
| β | 87.082 ± 0.001° |
| γ | 78.674 ± 0.01° |
| Cell volume | 1571 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0644 |
| Residual factor for significantly intense reflections | 0.0577 |
| Weighted residual factors for significantly intense reflections | 0.1644 |
| Weighted residual factors for all reflections included in the refinement | 0.1702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7155818.cif |
| 199762 | 2017-08-15 | cif/ Adding structures of 7155817, 7155818 via cif-deposit CGI script. |
7155818.cif |
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Users of the data should acknowledge the original authors of the
structural data.