Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1534124
Preview
| Coordinates | 1534124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C49 H50 Cl6 N4 O8 |
|---|---|
| Calculated formula | C49 H50 Cl6 N4 O8 |
| SMILES | ClC(Cl)Cl.ClC(Cl)Cl.O=C1Nc2ccc(cc2[C@@]21N1[C@H]([C@@H]([C@H]2C(/C=C(\O)[C@H]2[C@@H]([C@@H]3N([C@]42c2c(NC4=O)ccc(c2)C)CCC3)c2ccc(O)c(OC)c2)=O)c2ccc(O)c(OC)c2)CCC1)C |
| 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 | 13.203 ± 0.003 Å |
| b | 13.977 ± 0.003 Å |
| c | 14.658 ± 0.003 Å |
| α | 90.494 ± 0.013° |
| β | 100.476 ± 0.013° |
| γ | 113.249 ± 0.013° |
| Cell volume | 2434.2 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.2899 |
| Residual factor for significantly intense reflections | 0.0974 |
| Weighted residual factors for significantly intense reflections | 0.2499 |
| Weighted residual factors for all reflections included in the refinement | 0.3544 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.934 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1534124.cif |
| 160476 | 2015-10-06 | cif/ Adding structures of 1534124 via cif-deposit CGI script. |
1534124.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.