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Information card for entry 7238702
Preview
| Coordinates | 7238702.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H19 F3 N O5 P |
|---|---|
| Calculated formula | C16 H19 F3 N O5 P |
| Title of publication | An efficient and regioselective synthetic approach towards fluorinated quinolinylphosphonates |
| Authors of publication | Duda, Blazej; Tverdomed, Sergey N.; Röschenthaler, Gerd-Volker |
| Journal of publication | RSC Advances |
| Year of publication | 2012 |
| Journal volume | 2 |
| Journal issue | 24 |
| Pages of publication | 9135 |
| a | 7.4669 ± 0.0006 Å |
| b | 9.0018 ± 0.0006 Å |
| c | 12.991 ± 0.0011 Å |
| α | 93.708 ± 0.005° |
| β | 95.044 ± 0.006° |
| γ | 93.142 ± 0.005° |
| Cell volume | 866.39 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0713 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| 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. |
7238702.cif |
| 244302 | 2019-11-28 | cif/ Adding structures of 7238702 via cif-deposit CGI script. |
7238702.cif |
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Users of the data should acknowledge the original authors of the
structural data.