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Information card for entry 2233808
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| Coordinates | 2233808.cif |
|---|---|
| Structure factors | 2233808.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole |
|---|---|
| Formula | C18 H19 N3 O3 |
| Calculated formula | C18 H19 N3 O3 |
| Title of publication | 2-(Adamantan-1-yl)-5-(4-nitrophenyl)-1,3,4-oxadiazole |
| Authors of publication | El-Emam, Ali A.; Kadi, Adnan A.; El-Brollosy, Nasser R.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o795 |
| a | 6.8502 ± 0.0006 Å |
| b | 6.5705 ± 0.0007 Å |
| c | 17.6761 ± 0.0015 Å |
| α | 90° |
| β | 98.432 ± 0.008° |
| γ | 90° |
| Cell volume | 786.99 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.1076 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181260 (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 2/23/38. |
2233808.cif 2233808.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. |
2233808.cif 2233808.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233808.cif 2233808.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. | 2233808.cif 2233808.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233808.cif 2233808.hkl |
| 51059 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233808 via cif-deposit CGI script. |
2233808.cif |
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Users of the data should acknowledge the original authors of the
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