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Information card for entry 2230316
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| Coordinates | 2230316.cif |
|---|---|
| Structure factors | 2230316.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-3,3'-dimethoxybiphenyl-4,4'- diamine |
|---|---|
| Formula | C28 H22 Cl2 N2 O2 |
| Calculated formula | C28 H22 Cl2 N2 O2 |
| SMILES | COc1cc(ccc1/N=C/c1ccc(cc1)Cl)c1ccc(c(c1)OC)/N=C/c1ccc(cc1)Cl |
| Title of publication | <i>N</i>,<i>N</i>'-Bis(4-chlorobenzylidene)-3,3'-dimethoxybiphenyl-4,4'-diamine |
| Authors of publication | Subashini, Ashokkumar; Ramamurthi, Kandasamy; Stoeckli-Evans, Helen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | o1296 - o1297 |
| a | 9.2358 ± 0.0005 Å |
| b | 11.8559 ± 0.0006 Å |
| c | 23.5218 ± 0.0012 Å |
| α | 75.81 ± 0.004° |
| β | 80.326 ± 0.004° |
| γ | 79.288 ± 0.004° |
| Cell volume | 2433.1 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1021 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1254 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.98 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181225 (current) | 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 2/23/03. |
2230316.cif 2230316.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. |
2230316.cif 2230316.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230316.cif 2230316.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. | 2230316.cif 2230316.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230316.cif 2230316.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230316.cif 2230316.hkl |
| 22291 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230316 via cif-deposit CGI script. |
2230316.cif |
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Users of the data should acknowledge the original authors of the
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