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Information card for entry 7239238
Preview
| Coordinates | 7239238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H7 F O3 |
|---|---|
| Calculated formula | C12 H7 F O3 |
| Title of publication | Efficient synthesis of coumarin-based tetra and pentacyclic rings using phospha-palladacycles |
| Authors of publication | Kapdi, Anant R.; Karbelkar, Amruta; Naik, Minal; Pednekar, Suhas; Fischer, Christian; Schulzke, Carola; Tromp, Moniek |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 43 |
| Pages of publication | 20905 |
| a | 7.1648 ± 0.0014 Å |
| b | 7.7947 ± 0.0016 Å |
| c | 8.605 ± 0.0017 Å |
| α | 74.65 ± 0.03° |
| β | 80.31 ± 0.03° |
| γ | 82.76 ± 0.03° |
| Cell volume | 455.13 ± 0.17 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 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 | 0.0687 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1293 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
7239238.cif |
| 244612 | 2019-11-28 | cif/ Adding structures of 7239235, 7239236, 7239237, 7239238 via cif-deposit CGI script. |
7239238.cif |
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Users of the data should acknowledge the original authors of the
structural data.