Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7135117
Preview
| Coordinates | 7135117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 I O3 |
|---|---|
| Calculated formula | C31 H29 I O3 |
| Title of publication | CuH-Catalyzed Stereoselective Desymmetrization of Prochiral Cyclopentane-1,3-diones via Alkoxyallylation |
| Authors of publication | Maurya, Sundaram; Patil, Vaibhav B.; Raghu Ramudu, G.; Amrutkar, Virendra S.; Mendapara, Yash G.; Nanubolu, Jagadeesh Babu; Chegondi, Rambabu |
| Journal of publication | Chemical Communications |
| Year of publication | 2025 |
| a | 20.985 ± 0.0003 Å |
| b | 10.746 ± 0.0002 Å |
| c | 12.2193 ± 0.0002 Å |
| α | 90° |
| β | 102.749 ± 0.0008° |
| γ | 90° |
| Cell volume | 2687.57 ± 0.08 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0805 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 303076 (current) | 2025-10-29 | cif/ Adding structures of 7135117, 7135118 via cif-deposit CGI script. |
7135117.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.