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Information card for entry 2241301
Preview
| Coordinates | 2241301.cif |
|---|---|
| Structure factors | 2241301.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2,2''-Bis(2,7-dichloro-9-hydroxy-9<i>H</i>-fluoren-9-yl)-1,1':4',1''-terphenyl triethylamine trisolvate |
|---|---|
| Formula | C62 H71 Cl4 N3 O2 |
| Calculated formula | C62 H71 Cl4 N3 O2 |
| Title of publication | Crystal structure of 2,2''-bis(2,7-dichloro-9-hydroxy-9<i>H</i>-fluoren-9-yl)-1,1':4',1''-terphenyl triethylamine trisolvate |
| Authors of publication | Klien, Henrik; Seichter, Wilhelm; Weber, Edwin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1439 - 1443 |
| a | 14.5995 ± 0.0002 Å |
| b | 14.8094 ± 0.0002 Å |
| c | 15.7705 ± 0.0003 Å |
| α | 68.373 ± 0.001° |
| β | 66.837 ± 0.001° |
| γ | 67.558 ± 0.001° |
| Cell volume | 2800.13 ± 0.08 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.1029 |
| Weighted residual factors for all reflections included in the refinement | 0.1131 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241301.cif 2241301.hkl |
| 170185 | 2015-11-07 | cif/ hkl/ Adding structures of 2241301 via cif-deposit CGI script. |
2241301.cif 2241301.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.