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Information card for entry 2229323
Preview
| Coordinates | 2229323.cif |
|---|---|
| Structure factors | 2229323.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,8-Bis(3-chloroanilino)-<i>N</i>,<i>N</i>'-bis(3-chlorophenyl)octane- 1,8-diimine |
|---|---|
| Formula | C32 H30 Cl4 N4 |
| Calculated formula | C32 H30 Cl4 N4 |
| SMILES | Clc1cccc(c1)N/C(=N/c1cccc(c1)Cl)CCCCCCC(=N\c1cccc(c1)Cl)/Nc1cccc(c1)Cl |
| Title of publication | 1,8-Bis(3-chloroanilino)-<i>N</i>,<i>N</i>'-bis(3-chlorophenyl)octane-1,8-diimine |
| Authors of publication | Gowda, B. Thimme; Foro, Sabine; Rodrigues, Vinola Z.; Spandana, H. S.; Fuess, Hartmut |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | o609 |
| a | 22.349 ± 0.003 Å |
| b | 13.223 ± 0.002 Å |
| c | 22.644 ± 0.003 Å |
| α | 90 ± 0.003° |
| β | 108.79 ± 0.01° |
| γ | 90 ± 0.01° |
| Cell volume | 6335.1 ± 1.6 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 2 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 | 0.1065 |
| Residual factor for significantly intense reflections | 0.0798 |
| Weighted residual factors for significantly intense reflections | 0.2252 |
| Weighted residual factors for all reflections included in the refinement | 0.2513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181214 (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 2/22/93. |
2229323.cif 2229323.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. |
2229323.cif 2229323.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229323.cif 2229323.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. | 2229323.cif 2229323.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229323.cif 2229323.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229323.cif 2229323.hkl |
| 17368 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229323 via cif-deposit CGI script. |
2229323.cif |
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