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Information card for entry 7155269
Preview
| Coordinates | 7155269.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H26 N4 O4 |
|---|---|
| Calculated formula | C24 H26 N4 O4 |
| SMILES | OC12N(c3c(C2=O)cccc3)C(=O)c2c(N(CC1)C(=O)NCCCC)cccc2.N#CC |
| Title of publication | A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones. |
| Authors of publication | Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 14 |
| Journal issue | 38 |
| Pages of publication | 8998 - 9011 |
| a | 10.843 ± 0.003 Å |
| b | 19.28 ± 0.005 Å |
| c | 11.337 ± 0.004 Å |
| α | 90° |
| β | 111.215 ± 0.005° |
| γ | 90° |
| Cell volume | 2209.4 ± 1.1 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.0975 |
| Residual factor for significantly intense reflections | 0.0815 |
| Weighted residual factors for significantly intense reflections | 0.2014 |
| Weighted residual factors for all reflections included in the refinement | 0.2167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.7107 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. |
7155269.cif |
| 187177 | 2016-10-08 | cif/ Updating files of 7155268, 7155269 Original log message: Adding full bibliography for 7155268--7155269.cif. |
7155269.cif |
| 186115 | 2016-09-01 | cif/ Adding structures of 7155268, 7155269 via cif-deposit CGI script. |
7155269.cif |
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Users of the data should acknowledge the original authors of the
structural data.