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Information card for entry 2020285
Preview
| Coordinates | 2020285.cif |
|---|---|
| Structure factors | 2020285.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,1',6,6'-Tetrahydroxy-5,5'-diisopropyl-8,8'-bis{[(4-methoxyphenyl)iminiumyl]methyl}-3,3'-dimethyl-2,2'-binaphthalene-7,7'-diolate |
|---|---|
| Formula | C44 H44 N2 O8 |
| Calculated formula | C44 H44 N2 O8 |
| SMILES | Oc1c(c(cc2C(=C(O)C(=O)\C(c12)=C/Nc1ccc(OC)cc1)C(C)C)C)c1c(O)c2/C(C(=O)C(=C(c2cc1C)C(C)C)O)=C/Nc1ccc(OC)cc1 |
| Title of publication | Crystal structure of bis-p-anizidinegossypol with an unknown solvate |
| Authors of publication | Honkeldieva, Muhabbat T.; Talipov, Samat A.; Kunafiev, Rishad; Ibragimov, Bakhtiyar T. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | 1421 |
| a | 11.6622 ± 0.0009 Å |
| b | 14.0738 ± 0.0011 Å |
| c | 15.6906 ± 0.001 Å |
| α | 82.472 ± 0.006° |
| β | 84.831 ± 0.006° |
| γ | 75.009 ± 0.007° |
| Cell volume | 2462 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction 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 all reflections | 0.1381 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.649 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020285.cif 2020285.hkl |
| 170174 | 2015-11-07 | cif/ hkl/ Adding structures of 2020285 via cif-deposit CGI script. |
2020285.cif 2020285.hkl |
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Users of the data should acknowledge the original authors of the
structural data.