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Information card for entry 2231252
Preview
| Coordinates | 2231252.cif |
|---|---|
| Structure factors | 2231252.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5,7-Dibromo-3-trifluoromethyl-3,4-dihydroacridin-1(2<i>H</i>)-one |
|---|---|
| Formula | C14 H8 Br2 F3 N O |
| Calculated formula | C14 H8 Br2 F3 N O |
| SMILES | Brc1cc(Br)c2c(c1)cc1c(n2)CC(CC1=O)C(F)(F)F |
| Title of publication | 5,7-Dibromo-3-trifluoromethyl-3,4-dihydroacridin-1(2<i>H</i>)-one |
| Authors of publication | Okoro, Cosmas O.; Siddiquee, Tasneem; Fadeyi, Olugbeminiyi O. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | o2052 |
| a | 5.3303 ± 0.001 Å |
| b | 10.926 ± 0.002 Å |
| c | 12.354 ± 0.002 Å |
| α | 83.349 ± 0.006° |
| β | 85.741 ± 0.006° |
| γ | 85.051 ± 0.006° |
| Cell volume | 710.5 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181234 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/12. |
2231252.cif 2231252.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231252.cif 2231252.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231252.cif 2231252.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2231252.cif 2231252.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231252.cif 2231252.hkl |
| 27166 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231252 via cif-deposit CGI script. |
2231252.cif |
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Users of the data should acknowledge the original authors of the
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