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Information card for entry 7052136
Preview
| Coordinates | 7052136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C52 H56 N2 O2 |
|---|---|
| Calculated formula | C52 H56 N2 O2 |
| SMILES | c1(c(cc(c(c1)/C=C/c1ccc2c3c1ccc1cccc(c31)cc2)OCCCCCCCC)/C=C/c1cnc(cc1)c1ccccn1)OCCCCCCCC |
| Title of publication | Synthesis and zinc(ii) complexation modulated fluorescence emission properties of two pyrene-oligo(phenylene vinylene)-2,2?-bipyridine conjugated molecular rods |
| Authors of publication | Stéphanie Leroy-Lhez; Magali Allain; Jean Oberlé; Frédéric Fages |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2007 |
| Journal volume | 31 |
| Journal issue | 6 |
| Pages of publication | 1013 |
| a | 9.014 ± 0.0008 Å |
| b | 14.873 ± 0.002 Å |
| c | 16.749 ± 0.002 Å |
| α | 77.96 ± 0.01° |
| β | 83.05 ± 0.01° |
| γ | 77.57 ± 0.01° |
| Cell volume | 2137.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 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 significantly intense reflections | 0.0471 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.794 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052136.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. |
7052136.cif |
| 180075 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/21. |
7052136.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052136.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052136.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7052136.cif |
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