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Information card for entry 7123564
Preview
| Coordinates | 7123564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C29 H19 N O3 |
|---|---|
| Calculated formula | C29 H19 N O3 |
| Title of publication | Cascade intramolecular imidoylation and C−H activation/annulat-ion of benzimidoyl chlorides with alkynes: one-pot synthesis of 7H-dibenzo[de,h]quinoline analogues |
| Authors of publication | Liu, Jiao; Fang, Hao; Cheng, Rui; Wang, Zhishuo; Yang, Yudong; You, Jingsong |
| Journal of publication | Chemical Communications |
| Year of publication | 2019 |
| a | 13.1052 ± 0.0007 Å |
| b | 11.9832 ± 0.0007 Å |
| c | 13.6414 ± 0.0008 Å |
| α | 90° |
| β | 98.808 ± 0.006° |
| γ | 90° |
| Cell volume | 2117 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.06 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1503 |
| Weighted residual factors for all reflections included in the refinement | 0.1601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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. |
7123564.cif |
| 215592 | 2019-05-30 | cif/ Adding structures of 7123561, 7123562, 7123563, 7123564, 7123565, 7123566, 7123567 via cif-deposit CGI script. |
7123564.cif |
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Users of the data should acknowledge the original authors of the
structural data.