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Information card for entry 7204607
Preview
| Coordinates | 7204607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C23 H30 O5 |
|---|---|
| Calculated formula | C23 H30 O5 |
| SMILES | O.C1(CCCCC1)(c1ccc(O)cc1)c1ccc(O)cc1.O=C(/C=C(O)/C)C |
| Title of publication | Easy isolation of the enol form of acetylacetone as an inclusion complex with host compounds |
| Authors of publication | Urbanczyk-Lipkowska, Zofia; Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio |
| Journal of publication | CrystEngComm |
| Year of publication | 2003 |
| Journal volume | 5 |
| Journal issue | 22 |
| Pages of publication | 114 - 116 |
| a | 6.2565 ± 0.0006 Å |
| b | 10.8094 ± 0.0005 Å |
| c | 17.2183 ± 0.0016 Å |
| α | 106.78 ± 0.006° |
| β | 93.498 ± 0.006° |
| γ | 102.78 ± 0.006° |
| Cell volume | 1077.49 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0665 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for significantly intense reflections | 0.2191 |
| Weighted residual factors for all reflections included in the refinement | 0.2192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.362 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7204607.cif |
| 180377 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/46. |
7204607.cif |
| 173443 | 2016-01-04 | cif/ (antanas@kurmis) Updating bibliographies for multiple entries. |
7204607.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204607.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204607.cif |
| 3890 | 2010-12-07 | cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/. |
7204607.cif |
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Users of the data should acknowledge the original authors of the
structural data.