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Information card for entry 2240794
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| Coordinates | 2240794.cif |
|---|---|
| Structure factors | 2240794.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 1,3,6,8-Tetrabromo-9-ethyl-9<i>H</i>-carbazole |
|---|---|
| Formula | C14 H9 Br4 N |
| Calculated formula | C14 H9 Br4 N |
| SMILES | Brc1c2n(c3c(c2cc(Br)c1)cc(Br)cc3Br)CC |
| Title of publication | Crystal structure of 1,3,6,8-tetrabromo-9-ethyl-9<i>H</i>-carbazole |
| Authors of publication | Bezuglyi, Mykola; Grybauskaite, Gintare; Bagdziunas, Gintautas; Grazulevicius, Juozas Vidas |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o373 |
| a | 4.202 ± 0.002 Å |
| b | 14.654 ± 0.006 Å |
| c | 12.245 ± 0.006 Å |
| α | 90° |
| β | 92.758 ± 0.018° |
| γ | 90° |
| Cell volume | 753.1 ± 0.6 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0556 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240794.cif 2240794.hkl |
| 176428 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
2240794.cif 2240794.hkl |
| 137555 | 2015-05-30 | cif/ hkl/ Adding structures of 2240794 via cif-deposit CGI script. |
2240794.cif 2240794.hkl |
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Users of the data should acknowledge the original authors of the
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