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Information card for entry 2226957
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| Coordinates | 2226957.cif |
|---|---|
| Structure factors | 2226957.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | Vouacapen-5α-ol |
|---|---|
| Chemical name | (4a<i>R</i>,6a<i>S</i>,7<i>R</i>,11a<i>S</i>,11b<i>R</i>)-4,4,7,11b- tetramethyl-1,2,3,4,4a,5,6,6a,7,11,11a,11b- dodecahydrophenanthro[3,2-<i>b</i>]furan-4a-ol |
| Formula | C20 H30 O2 |
| Calculated formula | C20 H30 O2 |
| SMILES | o1c2C[C@H]3[C@@H](CC[C@@]4(O)C(CCC[C@]34C)(C)C)[C@H](c2cc1)C |
| Title of publication | Absolute configuration of vouacapen-5α-ol |
| Authors of publication | Fun, Hoong-Kun; Yodsaoue, Orapun; Chantrapromma, Suchada; Karalai, Chatchanok |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 8 |
| Pages of publication | o2166 - o2167 |
| a | 6.7367 ± 0.0002 Å |
| b | 12.7818 ± 0.0003 Å |
| c | 19.3472 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1665.93 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0292 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0785 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201978 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/22 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2226957.cif 2226957.hkl |
| 181190 | 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 2/22/69. |
2226957.cif 2226957.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. |
2226957.cif 2226957.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226957.cif 2226957.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. | 2226957.cif 2226957.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226957.cif 2226957.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2226957.cif 2226957.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2226957.cif |
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Users of the data should acknowledge the original authors of the
structural data.