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Information card for entry 2229664
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| Coordinates | 2229664.cif |
|---|---|
| Structure factors | 2229664.hkl |
| Original IUCr paper | HTML |
| Common name | 3β-Acetoxy-6-hydroxyiminocholestane |
|---|---|
| Chemical name | (3<i>S</i>,8<i>S</i>,9<i>S</i>,10<i>R</i>,13<i>R</i>,14<i>S</i>,17<i>R</i>)- 17-[(1<i>R</i>)-1,5-dimethylhexyl]-6-hydroxyimino-10,13-dimethyl- 2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1<i>H</i>- cyclopenta[<i>a</i>]phenanthren-3-yl acetate |
| Formula | C29 H49 N O3 |
| Calculated formula | C29 H49 N O3 |
| SMILES | O/N=C1\C[C@H]2[C@@H]3CC[C@@H]([C@@]3(C)CC[C@@H]2[C@@]2([C@@H]1C[C@H](CC2)OC(=O)C)C)[C@@H](CCCC(C)C)C |
| Title of publication | 3β-Acetoxy-6-hydroxyiminocholestane |
| Authors of publication | Ketuly, Kamal Aziz; Hadi, A. Hamid A.; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | o773 - o774 |
| a | 11.3934 ± 0.0013 Å |
| b | 9.6588 ± 0.0011 Å |
| c | 25.018 ± 0.003 Å |
| α | 90° |
| β | 93.466 ± 0.002° |
| γ | 90° |
| Cell volume | 2748.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.092 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181217 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/96. |
2229664.cif 2229664.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229664.cif 2229664.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229664.cif 2229664.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. | 2229664.cif 2229664.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229664.cif 2229664.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229664.cif 2229664.hkl |
| 19130 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229664 via cif-deposit CGI script. |
2229664.cif |
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Users of the data should acknowledge the original authors of the
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