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Information card for entry 2240133
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| Coordinates | 2240133.cif |
|---|---|
| Structure factors | 2240133.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (2<i>E</i>)-3-(3-Ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
|---|---|
| Formula | C17 H16 O4 |
| Calculated formula | C17 H16 O4 |
| SMILES | CCOc1c(ccc(c1)/C=C/C(=O)c1ccc(cc1)O)O |
| Title of publication | Crystal structure of (2<i>E</i>)-3-(3-ethoxy-4-hydroxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one |
| Authors of publication | Vasanthi, R.; Reuben Jonathan, D.; Elizhlarasi, K. S.; Revathi, B. K.; Usha, G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | o1202 - o1203 |
| a | 16.367 ± 0.0004 Å |
| b | 10.5512 ± 0.0003 Å |
| c | 16.6153 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2869.32 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0756 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1817 |
| Weighted residual factors for all reflections included in the refinement | 0.2145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.724 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240133.cif 2240133.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240133.cif 2240133.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240133.cif 2240133.hkl |
| 125967 | 2014-10-30 | cif/ hkl/ Adding structures of 2240133 via cif-deposit CGI script. |
2240133.cif 2240133.hkl |
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Users of the data should acknowledge the original authors of the
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