Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2227970
Preview
| Coordinates | 2227970.cif |
|---|---|
| Structure factors | 2227970.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxo-2<i>H</i>-chromen-3-yl)(4-oxo- 4<i>H</i>-chromen-3-yl)methyl]-6,7-dimethyl-2<i>H</i>-chromen-2-one |
|---|---|
| Formula | C32 H24 O8 |
| Calculated formula | C32 H24 O8 |
| SMILES | Cc1cc2c(cc1C)oc(=O)c(c2O)C(c1coc2c(c1=O)cccc2)c1c(=O)oc2c(c1O)cc(c(c2)C)C |
| Title of publication | 4-Hydroxy-3-[(4-hydroxy-6,7-dimethyl-2-oxo-2<i>H</i>-chromen-3-yl)(4-oxo-4<i>H</i>-chromen-3-yl)methyl]-6,7-dimethyl-2<i>H</i>-chromen-2-one |
| Authors of publication | Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Yeap, Chin Sing; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 11 |
| Pages of publication | o2859 - o2860 |
| a | 13.6418 ± 0.0012 Å |
| b | 10.5878 ± 0.0009 Å |
| c | 21.2316 ± 0.0015 Å |
| α | 90° |
| β | 123.48 ± 0.004° |
| γ | 90° |
| Cell volume | 2557.8 ± 0.4 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 | 0.0725 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for significantly intense reflections | 0.1266 |
| Weighted residual factors for all reflections included in the refinement | 0.1406 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181200 (current) | 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 2/22/79. |
2227970.cif 2227970.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. |
2227970.cif 2227970.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227970.cif 2227970.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. | 2227970.cif 2227970.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227970.cif 2227970.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227970.cif 2227970.hkl |
| 5007 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227970 via cif-deposit CGI script. |
2227970.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.