Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1573760
Preview
| Coordinates | 1573760.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 I N2 O |
|---|---|
| Calculated formula | C24 H25 I N2 O |
| Title of publication | Stereoselective synthesis of atropisomeric amides enabled by intramolecular acyl transfer. |
| Authors of publication | Wootton, Jack M.; Roper, Natalie J.; Morris, Catrin E.; Maguire, Victoria E.; Duff, Lee C.; Waddell, Paul G.; Whitwood, Adrian C.; Gammons, Richard J.; Miah, Afjal H.; Lynam, Jason M.; Armstrong, Roly J.; Unsworth, William P. |
| Journal of publication | Chemical science |
| Year of publication | 2025 |
| Journal volume | 16 |
| Journal issue | 9 |
| Pages of publication | 3938 - 3945 |
| a | 8.6576 ± 0.0003 Å |
| b | 11.4823 ± 0.0004 Å |
| c | 11.8769 ± 0.0005 Å |
| α | 70.882 ± 0.004° |
| β | 79.329 ± 0.003° |
| γ | 82.137 ± 0.003° |
| Cell volume | 1092.57 ± 0.08 Å3 |
| Cell temperature | 150 ± 0.2 K |
| Ambient diffraction temperature | 150 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0373 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298153 (current) | 2025-03-04 | cif/ Updating files of 1573760, 1573761, 1573762, 1573763, 1573764, 1573765 Original log message: Adding full bibliography for 1573760--1573765.cif. |
1573760.cif |
| 297440 | 2025-01-24 | cif/ Adding structures of 1573760, 1573761, 1573762, 1573763, 1573764, 1573765 via cif-deposit CGI script. |
1573760.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.