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Information card for entry 2232368
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| Coordinates | 2232368.cif |
|---|---|
| Structure factors | 2232368.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>rac</i>-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7- hexahydrobenzo[<i>c</i>][1,2]oxazole-5-carboxylate |
|---|---|
| Formula | C17 H19 N O5 |
| Calculated formula | C17 H19 N O5 |
| Title of publication | <i>rac</i>-Ethyl 6-hydroxy-6-methyl-3-oxo-4-phenyl-1,3,4,5,6,7-hexahydrobenzo[<i>c</i>][1,2]oxazole-5-carboxylate |
| Authors of publication | Ismiyev, Arif I.; Maharramov, Abel M.; Rashidov, Bahruz A.; Mammadova, Gunay Z.; Askerov, Rizvan K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o3018 |
| a | 6.0712 ± 0.0006 Å |
| b | 13.4343 ± 0.0013 Å |
| c | 10.0821 ± 0.001 Å |
| α | 90° |
| β | 96.882 ± 0.002° |
| γ | 90° |
| Cell volume | 816.39 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 all reflections | 0.1138 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.0997 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (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 2/23/23. |
2232368.cif 2232368.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. |
2232368.cif 2232368.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232368.cif 2232368.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. | 2232368.cif 2232368.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232368.cif 2232368.hkl |
| 31023 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232368 via cif-deposit CGI script. |
2232368.cif |
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