Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2207508
Preview
| Coordinates | 2207508.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | 5-hydroxy-7,4'-dimethoxyflavone |
|---|---|
| Chemical name | 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one |
| Formula | C17 H14 O5 |
| Calculated formula | C17 H14 O5 |
| SMILES | o1c2cc(OC)cc(O)c2c(=O)cc1c1ccc(OC)cc1 |
| Title of publication | 5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)-4<i>H</i>-1-benzopyran-4-one. Corrigendum |
| Authors of publication | Jeannie Bee Jan Teh; Hoong-Kun Fun; Abdul Razak Ibrahim; Suchada Chantrapromma; Nawong Boonnak; Chatchanok Karalai |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 12 |
| Pages of publication | e11 - e11 |
| a | 16.9406 ± 0.0004 Å |
| b | 3.8619 ± 0.0001 Å |
| c | 21.7968 ± 0.0004 Å |
| α | 90° |
| β | 106.52 ± 0.01° |
| γ | 90° |
| Cell volume | 1367.15 ± 0.09 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 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 | 0.0755 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201973 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/20 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2207508.cif |
| 176774 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/20. |
2207508.cif |
| 91933 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs. |
2207508.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2207508.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
2207508.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
2207508.cif |
| 326 | 2008-04-03 | Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site. |
2207508.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.