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Information card for entry 2229159
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| Coordinates | 2229159.cif |
|---|---|
| Structure factors | 2229159.hkl |
| Original IUCr paper | HTML |
| Common name | 11,12-Dihydroxy-10,6,8,11,13-icetexapentane-1-one |
|---|---|
| Chemical name | 14,15-dihydroxy-7,7-dimethyl-13-(propan-2-yl)tricyclo[9.4.0.0^3,8^]pentadeca- 1(11),3(8),9,12,14-pentaen-4-one |
| Formula | C20 H24 O3 |
| Calculated formula | C20 H24 O3 |
| SMILES | O=C1CCC(C2C=Cc3c(c(O)c(O)c(c3)C(C)C)CC1=2)(C)C |
| Title of publication | 11,12-Dihydroxy-10,6,8,11,13-icetexapentan-1-one |
| Authors of publication | Razak, Ibrahim Abdul; Chantrapromma, Suchada; Salae, Abdul Wahab; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o256 - o257 |
| a | 25.109 ± 0.0009 Å |
| b | 9.4317 ± 0.0003 Å |
| c | 14.9609 ± 0.0004 Å |
| α | 90° |
| β | 108.683 ± 0.002° |
| γ | 90° |
| Cell volume | 3356.35 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181212 (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 2/22/91. |
2229159.cif 2229159.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. |
2229159.cif 2229159.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229159.cif 2229159.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. | 2229159.cif 2229159.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229159.cif 2229159.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229159.cif 2229159.hkl |
| 12206 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229159 via cif-deposit CGI script. |
2229159.cif |
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Users of the data should acknowledge the original authors of the
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