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Information card for entry 7204829
Preview
| Coordinates | 7204829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C28 H37 N O4 |
|---|---|
| Calculated formula | C28 H37 N O4 |
| SMILES | O=C(C)C=C(Nc1ccc(OC(=O)c2ccc(OCCCCCCCCCC)cc2)cc1)C |
| Title of publication | Rodlike metallomesogens containing nickel(II), palladium(II) and copper(II) based on novel enaminoketonato ligands |
| Authors of publication | Carsten P. Roll; Alexander G. Martin; Helmar Görls; Guido Leibeling; Daniel Guillon; Bertrand Donnio; Wolfgang Weigand |
| Journal of publication | J. Mater. Chem. |
| Year of publication | 2004 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 1722 - 1730 |
| a | 5.1776 ± 0.0004 Å |
| b | 11.785 ± 0.001 Å |
| c | 20.724 ± 0.002 Å |
| α | 91.927 ± 0.007° |
| β | 93.548 ± 0.006° |
| γ | 91.903 ± 0.007° |
| Cell volume | 1260.61 ± 0.19 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.1717 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.152 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.706 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7204829.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7204829.cif |
| 202017 | 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. |
7204829.cif |
| 180379 | 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 7/20/48. |
7204829.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7204829.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7204829.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/. |
7204829.cif |
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Users of the data should acknowledge the original authors of the
structural data.