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Information card for entry 2239246
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| Coordinates | 2239246.cif |
|---|---|
| Structure factors | 2239246.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | (<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide |
|---|---|
| Formula | C20 H18 N2 O6 |
| Calculated formula | C20 H18 N2 O6 |
| SMILES | COc1cc(cc(c1OC)OC)C(=O)N/N=C/c1coc2c(c1=O)cccc2 |
| Title of publication | (<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide |
| Authors of publication | Ishikawa, Yoshinobu; Watanabe, Kohzoh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | o472 |
| a | 6.628 ± 0.007 Å |
| b | 11.029 ± 0.018 Å |
| c | 12.544 ± 0.018 Å |
| α | 105.34 ± 0.12° |
| β | 96.94 ± 0.1° |
| γ | 95.88 ± 0.1° |
| Cell volume | 869 ± 2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0684 |
| Weighted residual factors for all reflections included in the refinement | 0.208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181892 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/92. |
2239246.cif 2239246.hkl |
| 181311 | 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 2/23/92. |
2239246.cif 2239246.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. |
2239246.cif 2239246.hkl |
| 108818 | 2014-04-03 | cif/ hkl/ Adding structures of 2239246 via cif-deposit CGI script. |
2239246.cif 2239246.hkl |
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