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Information card for entry 7104182
Preview
| Coordinates | 7104182.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | resorcinol . trans-1,2-bis(4-pyridyl)ethylene 1/2 form 2 |
|---|---|
| Chemical name | resorcinol . trans-1,2-bis(4-pyridyl)ethylene 1/2 form 2 |
| Formula | C18 H16 N2 O2 |
| Calculated formula | C18 H16 N2 O2 |
| SMILES | Oc1cc(O)ccc1.n1ccc(cc1)/C=C/c1ccncc1 |
| Title of publication | Engineering cocrystal and polymorph architecture via pseudoseeding. |
| Authors of publication | Friscić, Tomislav; Macgillivray, Leonard R |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2009 |
| Journal volume | 34 |
| Journal issue | 7 |
| Pages of publication | 773 - 775 |
| a | 10.1465 ± 0.001 Å |
| b | 7.1871 ± 0.0007 Å |
| c | 20.042 ± 0.002 Å |
| α | 90° |
| β | 94.797 ± 0.005° |
| γ | 90° |
| Cell volume | 1456.4 ± 0.2 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0756 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1035 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7104182.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. |
7104182.cif |
| 180144 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/41. |
7104182.cif |
| 106664 | 2014-03-15 | cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly. |
7104182.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7104182.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7104182.cif |
| 828 | 2009-10-12 | cod/cif/ Depositing structures from the Acta-Cryst-C-2009_09/, Acta-Cryst-E-2009_09/ and Chem-Comm-2009_01-38/ data. |
7104182.cif |
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