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Information card for entry 2228378
Preview
| Coordinates | 2228378.cif |
|---|---|
| Structure factors | 2228378.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-Diethylamino-6-({2-[(<i>E</i>)-4-(diethylamino)-2-hydroxybenzylideneamino]-4,5-dimethylphenyl}aminomethylidene)cyclohexa-2,4-dienone‒5,5'-bis(diethylamino)-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol |
|---|---|
| Formula | C30 H38 N4 O2 |
| Calculated formula | C30 H38 N4 O2 |
| SMILES | CCN(C1=CC(=O)/C(=C\Nc2cc(C)c(cc2/N=C/c2ccc(cc2O)N(CC)CC)C)C=C1)CC.CCN(c1ccc(c(c1)O)/C=N/c1cc(C)c(cc1/N=C/c1ccc(cc1O)N(CC)CC)C)CC |
| Title of publication | (<i>Z</i>)-3-Diethylamino-6-({2-[(<i>E</i>)-4-(diethylamino)-2-hydroxybenzylideneamino]-4,5-dimethylphenyl}aminomethylidene)cyclohexa-2,4-dienone‒5,5'-bis(diethylamino)-2,2'-[4,5-dimethyl-<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenol |
| Authors of publication | Kargar, Hadi; Kia, Reza; Tahir, Muhammad Nawaz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | o3110 - o3111 |
| a | 11.443 ± 0.0012 Å |
| b | 12.0251 ± 0.0012 Å |
| c | 22.171 ± 0.002 Å |
| α | 88.241 ± 0.006° |
| β | 89.37 ± 0.007° |
| γ | 65.207 ± 0.006° |
| Cell volume | 2768.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.2012 |
| Residual factor for significantly intense reflections | 0.1061 |
| Weighted residual factors for significantly intense reflections | 0.2746 |
| Weighted residual factors for all reflections included in the refinement | 0.3202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228378.cif 2228378.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228378.cif 2228378.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2228378.cif 2228378.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228378.cif 2228378.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. | 2228378.cif 2228378.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228378.cif 2228378.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228378.cif 2228378.hkl |
| 5781 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228372, 2228373, 2228374, 2228375, 2228376, 2228377, 2228378, 2228379, 2228380, 2228381 via cif-deposit CGI script. |
2228378.cif |
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