Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7121769
Preview
| Coordinates | 7121769.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H15 N O3 S |
|---|---|
| Calculated formula | C19 H15 N O3 S |
| Title of publication | Silver-copper co-catalyzed cascade intramolecular cyclization/desulfinamide/dehydrogenation: one-pot synthesis of substituted carbazoles. |
| Authors of publication | Huang, Yuanqiong; Guo, Zhonglin; Song, Hongjian; Liu, Yuxiu; Wang, Qingmin |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 52 |
| Pages of publication | 7143 - 7146 |
| a | 17.529 ± 0.0004 Å |
| b | 10.184 ± 0.0002 Å |
| c | 18.2727 ± 0.0004 Å |
| α | 90° |
| β | 99.753 ± 0.002° |
| γ | 90° |
| Cell volume | 3214.81 ± 0.12 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113.15 K |
| Number of distinct elements | 5 |
| 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1065 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7121769.cif |
| 228187 | 2019-11-17 | cif/ Updating files of 7121769 Original log message: Adding full bibliography for 7121769.cif. |
7121769.cif |
| 208007 | 2018-05-29 | cif/ Adding structures of 7121769 via cif-deposit CGI script. |
7121769.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.