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Information card for entry 2105731
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| Coordinates | 2105731.cif |
|---|---|
| Structure factors | 2105731.hkl |
| Original IUCr paper | HTML |
| Formula | C14 H15 F3 N2 S |
|---|---|
| Calculated formula | C14 H15 F3 N2 S |
| Title of publication | Crystal structure analysis and sublimation thermodynamics of bicyclo derivatives of a neuroprotector family |
| Authors of publication | Surov, Artem O.; Proshin, Alexey N.; Perlovich, German L. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | 47 - 53 |
| a | 13.074 ± 0.008 Å |
| b | 9.185 ± 0.005 Å |
| c | 12.652 ± 0.008 Å |
| α | 90° |
| β | 109.33 ± 0.06° |
| γ | 90° |
| Cell volume | 1433.7 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.2773 |
| Residual factor for significantly intense reflections | 0.0745 |
| Weighted residual factors for significantly intense reflections | 0.1914 |
| Weighted residual factors for all reflections included in the refinement | 0.2209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.873 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181876 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57. |
2105731.cif 2105731.hkl |
| 180915 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/57. |
2105731.cif 2105731.hkl |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105731.cif 2105731.hkl |
| 104228 | 2014-03-10 | cif/ hkl/ Adding structures of 2105731, 2105732, 2105733 via cif-deposit CGI script. |
2105731.cif 2105731.hkl |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.