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Information card for entry 2230959
Preview
| Coordinates | 2230959.cif |
|---|---|
| Structure factors | 2230959.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>Z</i>)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]- 2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan- 9(1a<i>H</i>)-one |
|---|---|
| Formula | C19 H29 N O5 |
| Calculated formula | C19 H29 N O5 |
| SMILES | C1=C([C@H](C[C@@H]2[C@H](C(=O)O[C@H]2[C@H]2[C@@](CC1)(C)O2)CN1CCOCC1)O)C |
| Title of publication | (<i>Z</i>)-6-Hydroxy-1a,5-dimethyl-8-[(morpholin-4-yl)methyl]-2,3,6,7,7a,8,10a,10b-octahydrooxireno[2',3':9,10]cyclodeca[1,2-<i>b</i>]furan-9(1a<i>H</i>)-one |
| Authors of publication | Moumou, Mohamed; Benharref, Ahmed; Berraho, Moha; El Ammari, Lahcen; Akssira, Mohamed; Elhakmaoui, Ahmed |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 7 |
| Pages of publication | o1698 - o1699 |
| a | 11.7539 ± 0.0003 Å |
| b | 6.8304 ± 0.0002 Å |
| c | 11.8585 ± 0.0003 Å |
| α | 90° |
| β | 101.328 ± 0.002° |
| γ | 90° |
| Cell volume | 933.5 ± 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 | 0.0349 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0913 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2230959.cif 2230959.hkl |
| 181231 | 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 2/23/09. |
2230959.cif 2230959.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. |
2230959.cif 2230959.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230959.cif 2230959.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. | 2230959.cif 2230959.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230959.cif 2230959.hkl |
| 23417 | 2011-08-08 | hkl/ Adding Fobs data for the recently deposited coordinates from IUCr. |
2230959.cif 2230959.hkl |
| 23289 | 2011-08-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230959 via cif-deposit CGI script. |
2230959.cif |
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Users of the data should acknowledge the original authors of the
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