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Information card for entry 7239401
Preview
| Coordinates | 7239401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H21 N3 O6 |
|---|---|
| Calculated formula | C25 H21 N3 O6 |
| Title of publication | Domino Knoevenagel condensation–Michael addition–cyclization for the diastereoselective synthesis of dihydrofuropyrido[2,3-d]pyrimidines via pyridinium ylides in water |
| Authors of publication | Ahadi, Somayeh; Kamranifard, Telma; Armaghan, Mahsa; Khavasi, Hamid Reza; Bazgir, Ayoob |
| Journal of publication | RSC Advances |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 14 |
| Pages of publication | 7296 |
| a | 9.6442 ± 0.0012 Å |
| b | 14.035 ± 0.0013 Å |
| c | 15.9534 ± 0.0018 Å |
| α | 90° |
| β | 91.025 ± 0.009° |
| γ | 90° |
| Cell volume | 2159 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1308 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7239401.cif |
| 244684 | 2019-11-28 | cif/ Adding structures of 7239401 via cif-deposit CGI script. |
7239401.cif |
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Users of the data should acknowledge the original authors of the
structural data.