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Information card for entry 2236895
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| Coordinates | 2236895.cif |
|---|---|
| Structure factors | 2236895.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 4-[(3<i>R</i>)-8,8-dimethyl-3,4-dihydro-2<i>H</i>-pyrano[2,3-<i>f</i>]chromen- 3-yl]benzene-1,3-diol |
|---|---|
| Formula | C20 H20 O4 |
| Calculated formula | C20 H20 O4 |
| SMILES | O1C(C=Cc2c1ccc1c2OC[C@H](C1)c1c(cc(cc1)O)O)(C)C |
| Title of publication | Glabridin |
| Authors of publication | Tantishaiyakul, Vimon; Suknuntha, Krit; Saithong, Saowanit; Pakawatchai, Chaveng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | o3501 |
| a | 6.4301 ± 0.0004 Å |
| b | 12.0307 ± 0.0007 Å |
| c | 21.069 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1629.87 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0552 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| 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. |
2236895.cif 2236895.hkl |
| 181290 | 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 2/23/68. |
2236895.cif 2236895.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. |
2236895.cif 2236895.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236895.cif 2236895.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. | 2236895.cif 2236895.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. |
2236895.cif 2236895.hkl |
| 71158 | 2013-01-18 | cif/ Adding structures of 2236895 via cif-deposit CGI script. |
2236895.cif |
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Users of the data should acknowledge the original authors of the
structural data.