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Information card for entry 7204656
Preview
| Coordinates | 7204656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 N2 O4 |
|---|---|
| Calculated formula | C30 H44 N2 O4 |
| SMILES | C(/c1c(cc(cc1)OCCCCCCCC)O)=N\N=C\c1c(cc(cc1)OCCCCCCCC)O |
| Title of publication | Liquid-crystalline azines formed by the rare-earth promoted decomposition of hydrazide ?habbe? ligands: structural and thermal properties |
| Authors of publication | Van Deun, Rik; Parac-Vogt, Tatjana N.; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Guillon, Daniel; Donnio, Bertrand |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2003 |
| Journal volume | 13 |
| Journal issue | 7 |
| Pages of publication | 1639 |
| a | 5.6139 ± 0.0005 Å |
| b | 11.0646 ± 0.0012 Å |
| c | 11.2402 ± 0.0011 Å |
| α | 92.489 ± 0.008° |
| β | 91.835 ± 0.006° |
| γ | 101.208 ± 0.007° |
| Cell volume | 683.65 ± 0.12 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 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 all reflections | 0.0779 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1847 |
| Weighted residual factors for all reflections included in the refinement | 0.1986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuK\α |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7204656.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. |
7204656.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204656.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204656.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/. |
7204656.cif |
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