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Information card for entry 2233052
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| Coordinates | 2233052.cif |
|---|---|
| Structure factors | 2233052.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | (<i>E</i>,<i>E</i>)-<i>N</i>^1^-(2,3,4,5,6-Pentafluorobenzylidene)- <i>N</i>^4^-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine |
|---|---|
| Formula | C23 H17 F5 N2 O3 |
| Calculated formula | C23 H17 F5 N2 O3 |
| SMILES | c1(c(c(c(c(c1F)F)F)F)F)/C=N/c1ccc(cc1)/N=C/c1cc(c(c(c1)OC)OC)OC |
| Title of publication | (<i>E</i>,<i>E</i>)-<i>N</i>^1^-(2,3,4,5,6-Pentafluorobenzylidene)-<i>N</i>^4^-(3,4,5-trimethoxybenzylidene)benzene-1,4-diamine |
| Authors of publication | Collas, Alain; Blockhuys, Frank |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | o3397 - o3398 |
| a | 7.131 ± 0.002 Å |
| b | 11.749 ± 0.003 Å |
| c | 12.654 ± 0.003 Å |
| α | 83.85 ± 0.02° |
| β | 83.12 ± 0.02° |
| γ | 89.5 ± 0.02° |
| Cell volume | 1046.5 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.1324 |
| Residual factor for significantly intense reflections | 0.0776 |
| Weighted residual factors for significantly intense reflections | 0.1937 |
| Weighted residual factors for all reflections included in the refinement | 0.24 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| 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. |
2233052.cif 2233052.hkl |
| 181252 | 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 2/23/30. |
2233052.cif 2233052.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. |
2233052.cif 2233052.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233052.cif 2233052.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. | 2233052.cif 2233052.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233052.cif 2233052.hkl |
| 31947 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233052 via cif-deposit CGI script. |
2233052.cif |
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Users of the data should acknowledge the original authors of the
structural data.