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Information card for entry 2236267
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| Coordinates | 2236267.cif |
|---|---|
| Structure factors | 2236267.hkl |
| Original IUCr paper | HTML |
| Common name | (20<i>S</i>)-Dammar-24-ene-3β,20-diol |
|---|---|
| Chemical name | (1<i>R</i>,2<i>R</i>,5<i>R</i>,7<i>R</i>,10<i>R</i>,11<i>R</i>,14<i>S</i>, 15<i>R</i>)-14-[(2<i>S</i>)-2-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,10,11- pentamethyltetracyclo[8.7.0.0^2,7^.0^11,15^]heptadecan-5-ol monohydrate |
| Formula | C30 H54 O3 |
| Calculated formula | C30 H54 O3 |
| Title of publication | (20<i>S</i>)-Dammar-24-ene-3β,20-diol monohydrate from the bark of <i>Aglaia exima</i> (Meliaceae) |
| Authors of publication | Safariari, Agus; Supriadin, Asep; Supratman, Unang; Awang, Khalijah; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 9 |
| Pages of publication | o2712 - o2713 |
| a | 19.9229 ± 0.0001 Å |
| b | 19.9229 Å |
| c | 7.3302 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2909.52 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 77 |
| Hermann-Mauguin space group symbol | P 42 |
| Hall space group symbol | P 4c |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.2605 |
| Weighted residual factors for all reflections included in the refinement | 0.2656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181284 (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 2/23/62. |
2236267.cif 2236267.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. |
2236267.cif 2236267.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236267.cif 2236267.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. | 2236267.cif 2236267.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236267.cif 2236267.hkl |
| 69836 | 2012-12-21 | cif/ Adding structures of 2236267 via cif-deposit CGI script. |
2236267.cif |
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Users of the data should acknowledge the original authors of the
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