Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160197
Preview
| Coordinates | 7160197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | spiroindimicin F |
|---|---|
| Formula | C23 H18 Cl N3 O2 |
| Calculated formula | C23 H18 Cl N3 O2 |
| Title of publication | Synthesis of the 5/5-spiroindimicin alkaloids: development of a general synthetic approach and biological investigations. |
| Authors of publication | Banerjee, Ankush; Brisco, Tiffany A.; Ray, Sneha; Datta, Arani; Zhang, Xiaoyu; Zhang, Zhen; Busse, Alexander A.; Niederstrasser, Hanspeter; Sumida, Krissty; Posner, Bruce A.; Wetzel, Dawn M.; Phillips, Margaret A.; Smith, Myles W. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 48 |
| Pages of publication | 9413 - 9425 |
| a | 10.2648 ± 0.0001 Å |
| b | 14.8701 ± 0.0001 Å |
| c | 12.7374 ± 0.0001 Å |
| α | 90° |
| β | 97.874 ± 0.001° |
| γ | 90° |
| Cell volume | 1925.89 ± 0.03 Å3 |
| Cell temperature | 100.01 ± 0.12 K |
| Ambient diffraction temperature | 100.01 ± 0.12 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| 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 |
|---|---|---|---|
| 297135 (current) | 2025-01-06 | cif/ Updating files of 7160196, 7160197, 7160198, 7160199 Original log message: Adding full bibliography for 7160196--7160199.cif. |
7160197.cif |
| 295709 | 2024-11-01 | cif/ Adding structures of 7160196, 7160197, 7160198, 7160199 via cif-deposit CGI script. |
7160197.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.