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Information card for entry 7235469
Preview
| Coordinates | 7235469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H12 F3 N3 O |
|---|---|
| Calculated formula | C12 H12 F3 N3 O |
| Title of publication | Alternative synthesis of the anti-baldness compound RU58841 |
| Authors of publication | Leonard, Matthew J.; Lingham, Anthony R.; Niere, Julie O.; Jackson, Neale R. C.; McKay, Peter G.; Hügel, Helmut M. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| Journal volume | 4 |
| Journal issue | 27 |
| Pages of publication | 14143 |
| a | 9.408 ± 0.002 Å |
| b | 12.144 ± 0.003 Å |
| c | 12.488 ± 0.003 Å |
| α | 74.568 ± 0.006° |
| β | 85.875 ± 0.005° |
| γ | 69.212 ± 0.005° |
| Cell volume | 1285.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0473 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| 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. |
7235469.cif |
| 233059 | 2019-11-23 | cif/ Adding structures of 7235468, 7235469, 7235470, 7235471 via cif-deposit CGI script. |
7235469.cif |
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Users of the data should acknowledge the original authors of the
structural data.