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Information card for entry 2236015
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| Coordinates | 2236015.cif |
|---|---|
| Structure factors | 2236015.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate |
|---|---|
| Formula | C30 H41 N O6 |
| Calculated formula | C30 H41 N O6 |
| SMILES | O=C1[C@]2(CC[C@@H]3[C@](CC[C@@H]4[C@](CCC[C@@]34C)(C)C(=O)OCC)(C2)[C@@H]1COCc1ccccc1N(=O)=O)C |
| Title of publication | Ethyl <i>ent</i>-15α-[(2-nitrobenzyloxy)methyl]-16-oxobeyeran-20-oate |
| Authors of publication | Wu, Ya; Wang, Xia; Gong, Jian-hong; Tao, Jing-chao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 8 |
| Pages of publication | o2342 |
| a | 8.3711 ± 0.0017 Å |
| b | 11.419 ± 0.002 Å |
| c | 28.685 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2742 ± 0.9 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0836 |
| Residual factor for significantly intense reflections | 0.0698 |
| Weighted residual factors for significantly intense reflections | 0.1778 |
| Weighted residual factors for all reflections included in the refinement | 0.1857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181282 (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 2/23/60. |
2236015.cif 2236015.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. |
2236015.cif 2236015.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236015.cif 2236015.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. | 2236015.cif 2236015.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2236015.cif 2236015.hkl |
| 66103 | 2012-09-06 | cif/ Adding structures of 2236015 via cif-deposit CGI script. |
2236015.cif |
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Users of the data should acknowledge the original authors of the
structural data.