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Information card for entry 2234564
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| Coordinates | 2234564.cif |
|---|---|
| Structure factors | 2234564.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | 4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde |
|---|---|
| Formula | C35 H24 N4 O2 |
| Calculated formula | C35 H24 N4 O2 |
| SMILES | c1(ccccn1)c1cc(cc(c2ccccn2)n1)c1ccc(cc1)N(c1ccc(cc1)C=O)c1ccc(cc1)C=O |
| Title of publication | 4,4'-{[4-(2,2':6',2''-Terpyridin-4'-yl)phenyl]imino}dibenzaldehyde |
| Authors of publication | Shen, Wei-Biao; Zhang, Zhi-Wen; Wang, Li-Wen; Wu, Jie-Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 5 |
| Pages of publication | o1358 |
| a | 11.2518 ± 0.0014 Å |
| b | 18.38 ± 0.002 Å |
| c | 25.86 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5348.1 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0671 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2234564.cif 2234564.hkl |
| 181267 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/45. |
2234564.cif 2234564.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234564.cif 2234564.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234564.cif 2234564.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234564.cif 2234564.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234564.cif 2234564.hkl |
| 60035 | 2012-06-14 | cif/ Adding structures of 2234564 via cif-deposit CGI script. |
2234564.cif |
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Users of the data should acknowledge the original authors of the
structural data.