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Information card for entry 7235470
Preview
| Coordinates | 7235470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H10 Br F3 N2 O |
|---|---|
| Calculated formula | C12 H10 Br F3 N2 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 | 5.6717 ± 0.0003 Å |
| b | 22.0719 ± 0.0012 Å |
| c | 10.2761 ± 0.0006 Å |
| α | 90° |
| β | 103.28 ± 0.001° |
| γ | 90° |
| Cell volume | 1252.02 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0492 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0752 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
7235470.cif |
| 233059 | 2019-11-23 | cif/ Adding structures of 7235468, 7235469, 7235470, 7235471 via cif-deposit CGI script. |
7235470.cif |
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Users of the data should acknowledge the original authors of the
structural data.