Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568947
Preview
| Coordinates | 1568947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H22 I N O3 S |
|---|---|
| Calculated formula | C21 H22 I N O3 S |
| Title of publication | Nitrogen-interrupted <i>halo</i>-Prins/<i>halo</i>-Nazarov fragment coupling cascade for the synthesis of indolines. |
| Authors of publication | Milosavljevic, Aleksa; Holt, Connor; Frontier, Alison J. |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 20 |
| Pages of publication | 5431 - 5437 |
| a | 10.9449 ± 0.0002 Å |
| b | 13.156 ± 0.0005 Å |
| c | 14.6317 ± 0.0006 Å |
| α | 77.386 ± 0.003° |
| β | 82.198 ± 0.003° |
| γ | 89.881 ± 0.002° |
| Cell volume | 2036.12 ± 0.12 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0655 |
| Weighted residual factors for significantly intense reflections | 0.1814 |
| Weighted residual factors for all reflections included in the refinement | 0.1963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| 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 |
|---|---|---|---|
| 284222 (current) | 2023-06-05 | cif/ Updating files of 1568947, 1568948, 1568949 Original log message: Adding full bibliography for 1568947--1568949.cif. |
1568947.cif |
| 282810 | 2023-04-25 | cif/ Adding structures of 1568947, 1568948, 1568949 via cif-deposit CGI script. |
1568947.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.