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Information card for entry 7202766
Preview
| Coordinates | 7202766.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H20 N2 O3 |
|---|---|
| Calculated formula | C25 H20 N2 O3 |
| SMILES | c1cc(O)ccc1C(=O)c1ccc(cc1)O.c1cc(ccn1)/C=C/c1ccncc1 |
| Title of publication | Three concomitant polymorphs of 1?:?1 4,4?-dihydroxybenzophenone/1,2-bis(4-pyridyl)-ethylene: applications of hydrothermal method in searching polymorphs |
| Authors of publication | Wang, Jing; Ding, Liyu; Yang, Caiqin |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 7 |
| Pages of publication | 591 |
| a | 23.76 ± 0.002 Å |
| b | 6.0368 ± 0.0005 Å |
| c | 13.6085 ± 0.0012 Å |
| α | 90° |
| β | 101.123 ± 0.003° |
| γ | 90° |
| Cell volume | 1915.3 ± 0.3 Å3 |
| Cell temperature | 90 ± 1 K |
| Ambient diffraction temperature | 90 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0522 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
7202766.cif |
| 180358 | 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 7/20/27. |
7202766.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202766.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202766.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. |
7202766.cif |
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Users of the data should acknowledge the original authors of the
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