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Information card for entry 2241297
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| Coordinates | 2241297.cif |
|---|---|
| Structure factors | 2241297.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2',3,6'-Trichlorobiphenyl-2-yl)boronic acid tetrahydrofuran monosolvate |
|---|---|
| Formula | C16 H16 B Cl3 O3 |
| Calculated formula | C16 H16 B Cl3 O3 |
| SMILES | c1(c(cccc1c1c(cccc1Cl)Cl)Cl)B(O)O.C1CCCO1 |
| Title of publication | Crystal structure of (2',3,6'-trichlorobiphenyl-2-yl)boronic acid tetrahydrofuran monosolvate |
| Authors of publication | Durka, Krzysztof; Kliś, Tomasz; Serwatowski, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1471 - 1474 |
| a | 8.3306 ± 0.0003 Å |
| b | 8.7122 ± 0.0002 Å |
| c | 12.4307 ± 0.0004 Å |
| α | 98.683 ± 0.003° |
| β | 97.737 ± 0.003° |
| γ | 99.398 ± 0.003° |
| Cell volume | 868.07 ± 0.05 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 1 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0847 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241297.cif 2241297.hkl |
| 170179 | 2015-11-07 | cif/ hkl/ Adding structures of 2241297 via cif-deposit CGI script. |
2241297.cif 2241297.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.