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Information card for entry 2228954
Preview
| Coordinates | 2228954.cif |
|---|---|
| Structure factors | 2228954.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 5-Hydroxy-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2<i>H</i>,6<i>H</i>-7,8-dihydropyrano[3,2-<i>g</i>]chromene-2,6-dione |
|---|---|
| Formula | C19 H20 O5 |
| Calculated formula | C19 H20 O5 |
| SMILES | o1c2c(ccc1=O)c(O)c1C(=O)CC(Oc1c2C(C=C)(C)C)(C)C |
| Title of publication | 5-Hydroxy-8,8-dimethyl-10-(2-methylbut-3-en-2-yl)-2<i>H</i>,6<i>H</i>-7,8-dihydropyrano[3,2-<i>g</i>]chromene-2,6-dione |
| Authors of publication | Fun, Hoong-Kun; Sripisut, Tawanun; Laphookhieo, Surat; Chantrapromma, Suchada |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | o422 - o423 |
| a | 10.2239 ± 0.0002 Å |
| b | 11.309 ± 0.0003 Å |
| c | 13.8764 ± 0.0003 Å |
| α | 90° |
| β | 93.108 ± 0.001° |
| γ | 90° |
| Cell volume | 1602.06 ± 0.06 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0607 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
| 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. |
2228954.cif 2228954.hkl |
| 181210 | 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 2/22/89. |
2228954.cif 2228954.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. |
2228954.cif 2228954.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2228954.cif 2228954.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228954.cif 2228954.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. | 2228954.cif 2228954.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228954.cif 2228954.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2228954.cif 2228954.hkl |
| 11972 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2228954 via cif-deposit CGI script. |
2228954.cif |
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