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Information card for entry 2228357
Preview
| Coordinates | 2228357.cif |
|---|---|
| Structure factors | 2228357.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3-Dibromo-1-(4-chlorophenyl)-3-(5-nitro-2-furyl)propan-1-one |
|---|---|
| Formula | C13 H8 Br2 Cl N O4 |
| Calculated formula | C13 H8 Br2 Cl N O4 |
| Title of publication | 2,3-Dibromo-1-(4-chlorophenyl)-3-(5-nitro-2-furyl)propan-1-one |
| Authors of publication | Fun, Hoong-Kun; Yeap, Chin Sing; Shetty, Shobhitha; Kalluraya, Balakrishna |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3220 |
| a | 8.4932 ± 0.0011 Å |
| b | 9.4501 ± 0.0012 Å |
| c | 10.5665 ± 0.0014 Å |
| α | 92.731 ± 0.002° |
| β | 107 ± 0.002° |
| γ | 114.299 ± 0.002° |
| Cell volume | 725.32 ± 0.16 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.197 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228357.cif 2228357.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228357.cif 2228357.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228357.cif 2228357.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. | 2228357.cif 2228357.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228357.cif 2228357.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228357.cif 2228357.hkl |
| 5779 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228352, 2228353, 2228354, 2228355, 2228356, 2228357, 2228358, 2228359, 2228360, 2228361 via cif-deposit CGI script. |
2228357.cif |
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Users of the data should acknowledge the original authors of the
structural data.