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Information card for entry 2020417
Preview
| Coordinates | 2020417.cif |
|---|---|
| Structure factors | 2020417.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2,6-Bis(trifluoromethyl)phenyl]bis[3,5-bis(trifluoromethyl)phenyl]borane |
|---|---|
| Formula | C24 H9 B F18 |
| Calculated formula | C24 H9 B F18 |
| Title of publication | Conformational studies on heteroleptic trifluoromethyl-substituted phenylboranes |
| Authors of publication | Samigullin, Kamil; Soltani, Yashar; Lerner, Hans-Wolfram; Wagner, Matthias; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 189 - 197 |
| a | 10.8257 ± 0.0011 Å |
| b | 11.4704 ± 0.0013 Å |
| c | 12.0198 ± 0.0014 Å |
| α | 117.067 ± 0.008° |
| β | 101.774 ± 0.009° |
| γ | 100.795 ± 0.009° |
| Cell volume | 1232.1 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0617 |
| Residual factor for significantly intense reflections | 0.0461 |
| Weighted residual factors for significantly intense reflections | 0.1088 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020417.cif 2020417.hkl |
| 181468 | 2016-04-04 | cif/ Updating files of 2020415, 2020416, 2020417, 2020418, 2020419 Original log message: Adding full bibliography for 2020415--2020419.cif. |
2020417.cif 2020417.hkl |
| 176408 | 2016-02-13 | cif/ hkl/ Adding structures of 2020415, 2020416, 2020417, 2020418, 2020419 via cif-deposit CGI script. |
2020417.cif 2020417.hkl |
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Users of the data should acknowledge the original authors of the
structural data.