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Information card for entry 2233725
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| Coordinates | 2233725.cif |
|---|---|
| Structure factors | 2233725.hkl |
| Original IUCr paper | HTML |
| Chemical name | (6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-3-oxo- 1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate |
|---|---|
| Formula | C14 H21 N O5 |
| Calculated formula | C14 H21 N O5 |
| Title of publication | (6<i>S</i>,7<i>S</i>,8<i>S</i>,8a<i>S</i>)-6-Ethyl-3-oxo-1,2,3,5,6,7,8,8a-octahydroindolizine-7,8-diyl diacetate |
| Authors of publication | Vrábel, Viktor; Švorc, Ľubomír; Šafář, Peter; Marchalín, Štefan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | o662 - o663 |
| a | 11.5157 ± 0.0002 Å |
| b | 9.8239 ± 0.0001 Å |
| c | 14.0922 ± 0.0002 Å |
| α | 90° |
| β | 99.035 ± 0.002° |
| γ | 90° |
| Cell volume | 1574.46 ± 0.04 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0521 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (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 2/23/37. |
2233725.cif 2233725.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. |
2233725.cif 2233725.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233725.cif 2233725.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. | 2233725.cif 2233725.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233725.cif 2233725.hkl |
| 50972 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233725 via cif-deposit CGI script. |
2233725.cif |
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Users of the data should acknowledge the original authors of the
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