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Information card for entry 2233536
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| Coordinates | 2233536.cif |
|---|---|
| Structure factors | 2233536.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | <i>ent</i>-15<i>S</i>-prima-8(14)-ene-15,16-diol Ceriotagalsin L |
|---|---|
| Chemical name | (<i>S</i>)-1-[(2<i>S</i>,4a<i>R</i>,8a<i>R</i>)-2,4b,8,8-tetramethyl- 2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-2-yl]ethane-1,2-diol |
| Formula | C20 H34 O2 |
| Calculated formula | C20 H34 O2 |
| SMILES | O[C@@H]([C@@]1(C=C2CC[C@@H]3C(CCC[C@]3([C@@H]2CC1)C)(C)C)C)CO |
| Title of publication | <i>ent</i>-(15<i>S</i>)-Pimar-8(14)-ene-15,16-diol |
| Authors of publication | Fun, Hoong-Kun; Chantrapromma, Suchada; Pakhathirathien, Charoen; Karalai, Chatchanok; Chantrapromma, Kan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o520 - o521 |
| a | 11.5129 ± 0.0002 Å |
| b | 7.0934 ± 0.0001 Å |
| c | 22.3946 ± 0.0004 Å |
| α | 90° |
| β | 96.75 ± 0.001° |
| γ | 90° |
| Cell volume | 1816.19 ± 0.05 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
2233536.cif 2233536.hkl |
| 181257 | 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 2/23/35. |
2233536.cif 2233536.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. |
2233536.cif 2233536.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233536.cif 2233536.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. | 2233536.cif 2233536.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233536.cif 2233536.hkl |
| 38332 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233536 via cif-deposit CGI script. |
2233536.cif |
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Users of the data should acknowledge the original authors of the
structural data.