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Information card for entry 2236581
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| Coordinates | 2236581.cif |
|---|---|
| Structure factors | 2236581.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,8-Dihydroxy-8a-methyl-3,5- dimethylidenedecahydronaphtho[2,3-<i>b</i>]furan-2(3<i>H</i>)-one |
|---|---|
| Formula | C15 H20 O4 |
| Calculated formula | C15 H20 O4 |
| Title of publication | 6,8-Dihydroxy-8a-methyl-3,5-dimethylidenedecahydronaphtho[2,3-<i>b</i>]furan-2(3<i>H</i>)-one |
| Authors of publication | Liu, Ting-ting; Wu, Hai-Bo; Wang, Wen-Shu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 11 |
| Pages of publication | o3251 |
| a | 6.4737 ± 0.0004 Å |
| b | 6.4737 ± 0.0004 Å |
| c | 62.438 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2616.7 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0537 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1197 |
| Weighted residual factors for all reflections included in the refinement | 0.1242 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181287 (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 2/23/65. |
2236581.cif 2236581.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. |
2236581.cif 2236581.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236581.cif 2236581.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. | 2236581.cif 2236581.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. |
2236581.cif 2236581.hkl |
| 70161 | 2012-12-21 | cif/ Adding structures of 2236581 via cif-deposit CGI script. |
2236581.cif |
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Users of the data should acknowledge the original authors of the
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