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Information card for entry 7157300
Preview
| Coordinates | 7157300.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H19 Br2 N O |
|---|---|
| Calculated formula | C24 H19 Br2 N O |
| Title of publication | A synthetic route to 1,4-disubstituted tetrahydro-β-carbolines and tetrahydropyranoindoles via ring-opening/Pictet-Spengler reaction of aziridines and epoxides with indoles/aldehydes. |
| Authors of publication | Wani, Imtiyaz Ahmad; Goswami, Gaurav; Sk, Sahid; Mal, Abhijit; Sayyad, Masthanvali; Ghorai, Manas K. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 2 |
| Pages of publication | 272 - 287 |
| a | 7.571 ± 0.003 Å |
| b | 13.464 ± 0.004 Å |
| c | 20.373 ± 0.007 Å |
| α | 90° |
| β | 99.227 ± 0.01° |
| γ | 90° |
| Cell volume | 2049.9 ± 1.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1459 |
| Residual factor for significantly intense reflections | 0.0805 |
| Weighted residual factors for significantly intense reflections | 0.1836 |
| Weighted residual factors for all reflections included in the refinement | 0.2111 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 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. |
7157300.cif |
| 247823 | 2020-02-04 | cif/ Updating files of 7157299, 7157300 Original log message: Adding full bibliography for 7157299--7157300.cif. |
7157300.cif |
| 246404 | 2020-01-01 | cif/ Adding structures of 7157299, 7157300 via cif-deposit CGI script. |
7157300.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.