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Information card for entry 2232577
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| Coordinates | 2232577.cif |
|---|---|
| Structure factors | 2232577.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Bromo-2-[(<i>E</i>)-thiophen-2-ylmethylidene]-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one |
|---|---|
| Formula | C17 H12 Br N O S |
| Calculated formula | C17 H12 Br N O S |
| Title of publication | 6-Bromo-2-[(<i>E</i>)-thiophen-2-ylmethylidene]-2,3,4,9-tetrahydro-1<i>H</i>-carbazol-1-one |
| Authors of publication | Velmurugan, R.; Sekar, M.; Vijayasankar, A. V.; Ramesh, P.; Ponnuswamy, M. N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3271 |
| a | 13.8655 ± 0.0005 Å |
| b | 6.3081 ± 0.0003 Å |
| c | 17.4583 ± 0.0007 Å |
| α | 90° |
| β | 103.666 ± 0.002° |
| γ | 90° |
| Cell volume | 1483.76 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1499 |
| Residual factor for significantly intense reflections | 0.0469 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.85 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (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 2/23/25. |
2232577.cif 2232577.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. |
2232577.cif 2232577.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2232577.cif 2232577.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232577.cif 2232577.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. | 2232577.cif 2232577.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232577.cif 2232577.hkl |
| 31450 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232577 via cif-deposit CGI script. |
2232577.cif |
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Users of the data should acknowledge the original authors of the
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