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Information card for entry 2240165
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| Coordinates | 2240165.cif |
|---|---|
| Structure factors | 2240165.hkl |
| Original IUCr paper | HTML |
| Common name | Hydrocortisone 17-butyrate |
|---|---|
| Chemical name | (8<i>S</i>,9<i>S</i>,10<i>R</i>,11<i>S</i>,13<i>S</i>,14<i>S</i>,17<i>R</i>)-11-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-17-yl butanoate |
| Formula | C25 H36 O6 |
| Calculated formula | C25 H36 O6 |
| Title of publication | Crystal structure of hydrocortisone 17-butyrate |
| Authors of publication | Zhu, Yu; Shen, Wei; Wang, Hai-li |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1239 - o1240 |
| a | 9.05738 ± 0.00008 Å |
| b | 11.87633 ± 0.00009 Å |
| c | 21.13465 ± 0.00015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2273.42 ± 0.03 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 3 |
| 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 | 0.0407 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240165.cif 2240165.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240165.cif 2240165.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240165.cif 2240165.hkl |
| 126283 | 2014-11-06 | cif/ hkl/ Adding structures of 2240165 via cif-deposit CGI script. |
2240165.cif 2240165.hkl |
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Users of the data should acknowledge the original authors of the
structural data.