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Information card for entry 2231444
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| Coordinates | 2231444.cif |
|---|---|
| Structure factors | 2231444.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one |
|---|---|
| Formula | C17 H14 O2 |
| Calculated formula | C17 H14 O2 |
| SMILES | O=C(c1ccccc1O)/C=C/C=C/c1ccccc1 |
| Title of publication | (2<i>E</i>,4<i>E</i>)-1-(2-Hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one |
| Authors of publication | Silva, W. A.; Gatto, C. C.; Oliveira, G. R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | o2210 |
| a | 10.9068 ± 0.0003 Å |
| b | 7.9851 ± 0.0002 Å |
| c | 30.2131 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2631.32 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1072 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.134 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211196 (current) | 2018-09-27 | cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries. |
2231444.cif 2231444.hkl |
| 181236 | 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 2/23/14. |
2231444.cif 2231444.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. |
2231444.cif 2231444.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231444.cif 2231444.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. | 2231444.cif 2231444.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231444.cif 2231444.hkl |
| 27569 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231444 via cif-deposit CGI script. |
2231444.cif |
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Users of the data should acknowledge the original authors of the
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