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Information card for entry 2230292
Preview
| Coordinates | 2230292.cif |
|---|---|
| Structure factors | 2230292.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>Z</i>)-2-(2-Hydroxy-4-methoxybenzylidene)-1-benzofuran-3(2<i>H</i>)-one |
|---|---|
| Formula | C16 H12 O4 |
| Calculated formula | C16 H12 O4 |
| SMILES | c12ccccc1C(=O)/C(=C/c1ccc(cc1O)OC)O2 |
| Title of publication | (<i>Z</i>)-2-(2-Hydroxy-4-methoxybenzylidene)-1-benzofuran-3(2<i>H</i>)-one |
| Authors of publication | Satyanarayana Reddy, J.; Ravi Kumar, N.; Venkata Prasad, J.; Gopikrishna, G.; Anand Solomon, K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1330 |
| a | 7.1083 ± 0.0004 Å |
| b | 12.7072 ± 0.0007 Å |
| c | 14.4024 ± 0.0008 Å |
| α | 90° |
| β | 100.161 ± 0.002° |
| γ | 90° |
| Cell volume | 1280.52 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1126 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1225 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| 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. |
2230292.cif 2230292.hkl |
| 181224 | 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 2/23/02. |
2230292.cif 2230292.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. |
2230292.cif 2230292.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230292.cif 2230292.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. | 2230292.cif 2230292.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230292.cif 2230292.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230292.cif 2230292.hkl |
| 22265 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230292 via cif-deposit CGI script. |
2230292.cif |
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Users of the data should acknowledge the original authors of the
structural data.