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Information card for entry 2238175
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| Coordinates | 2238175.cif |
|---|---|
| Structure factors | 2238175.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
|---|---|
| Formula | C17 H17 N O4 |
| Calculated formula | C17 H17 N O4 |
| SMILES | COc1cc(OC)c(cc1/C=C/C(=O)c1ccccn1)OC |
| Title of publication | (2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one |
| Authors of publication | Chantrapromma, Suchada; Suwunwong, Thitipone; Boonnak, Nawong; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | o1076 - o1077 |
| a | 8.4047 ± 0.0003 Å |
| b | 8.7285 ± 0.0003 Å |
| c | 19.5086 ± 0.0007 Å |
| α | 90° |
| β | 94.113 ± 0.002° |
| γ | 90° |
| Cell volume | 1427.47 ± 0.09 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.1081 |
| Residual factor for significantly intense reflections | 0.0665 |
| Weighted residual factors for significantly intense reflections | 0.1636 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181303 (current) | 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 2/23/81. |
2238175.cif 2238175.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. |
2238175.cif 2238175.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2238175.cif 2238175.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238175.cif 2238175.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238175.cif 2238175.hkl |
| 87422 | 2013-08-27 | cif/ Adding structures of 2238175 via cif-deposit CGI script. |
2238175.cif |
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Users of the data should acknowledge the original authors of the
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