Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1534125
Preview
| Coordinates | 1534125.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C45 H44 N4 O8 |
|---|---|
| Calculated formula | C45 H44 N4 O8 |
| SMILES | OC(=C\C(=O)[C@@H]1[C@H]([C@H]2N(CCC2)[C@]21C(=O)Nc1ccccc21)c1ccc(O)c(OC)c1)/[C@H]1[C@@H]([C@@H]2N(CCC2)[C@]21c1ccccc1NC2=O)c1ccc(O)c(OC)c1 |
| Title of publication | Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection. |
| Authors of publication | Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 18 |
| Pages of publication | 4440 - 4443 |
| a | 12.2439 ± 0.0017 Å |
| b | 13.8398 ± 0.0016 Å |
| c | 14.5323 ± 0.0018 Å |
| α | 91.544 ± 0.009° |
| β | 97.532 ± 0.009° |
| γ | 110.103 ± 0.009° |
| Cell volume | 2285.7 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1801 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1804 |
| Weighted residual factors for all reflections included in the refinement | 0.2348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.922 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301778 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/53 Each referenced PubChem compound corresponds to the full crystal structure. |
1534125.cif |
| 160477 | 2015-10-06 | cif/ Adding structures of 1534125 via cif-deposit CGI script. |
1534125.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.