Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7134189
Preview
| Coordinates | 7134189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H31 N3 O3 S |
|---|---|
| Calculated formula | C26 H31 N3 O3 S |
| Title of publication | HFIP-mediated cascade aminomethylation and intramolecular cyclization of allenamides with <i>N</i>,<i>O</i>-acetals to access tetrahydro-β-carboline derivatives. |
| Authors of publication | Chaudhary, Dhananjay; Maurya, Chandra Shekhar; Unnikrishnan, Urmila; Kuram, Malleswara Rao |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| Journal volume | 61 |
| Journal issue | 14 |
| Pages of publication | 2981 - 2984 |
| a | 12.6627 ± 0.0002 Å |
| b | 15.3055 ± 0.0002 Å |
| c | 12.8279 ± 0.0002 Å |
| α | 90° |
| β | 101.373 ± 0.002° |
| γ | 90° |
| Cell volume | 2437.34 ± 0.07 Å3 |
| Cell temperature | 291.86 ± 0.1 K |
| Ambient diffraction temperature | 291.86 ± 0.1 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 | 0.05 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1232 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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 |
|---|---|---|---|
| 298045 (current) | 2025-03-04 | cif/ Updating files of 7134189 Original log message: Adding full bibliography for 7134189.cif. |
7134189.cif |
| 297383 | 2025-01-21 | cif/ Adding structures of 7134189 via cif-deposit CGI script. |
7134189.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.