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Information card for entry 2233522
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| Coordinates | 2233522.cif |
|---|---|
| Structure factors | 2233522.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-Dibutoxy-2,5-bis{(<i>Z</i>)-2-[4-(9<i>H</i>-carbazol- 9-yl)phenyl]ethenyl}benzene |
|---|---|
| Formula | C54 H48 N2 O2 |
| Calculated formula | C54 H48 N2 O2 |
| SMILES | CCCCOc1cc(/C=C\c2ccc(cc2)n2c3ccccc3c3c2cccc3)c(cc1/C=C\c1ccc(cc1)n1c2ccccc2c2c1cccc2)OCCCC |
| Title of publication | 1,4-Dibutoxy-2,5-bis{(<i>Z</i>)-2-[4-(9<i>H</i>-carbazol-9-yl)phenyl]ethenyl}benzene |
| Authors of publication | Fei, Wen-Wen; Li, Rui; Wang, Zhen-Yu; Wu, Jie-Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 2 |
| Pages of publication | o321 |
| a | 8.437 ± 0.005 Å |
| b | 13.229 ± 0.005 Å |
| c | 19.165 ± 0.005 Å |
| α | 90° |
| β | 98.683 ± 0.005° |
| γ | 90° |
| Cell volume | 2114.5 ± 1.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0637 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1394 |
| Weighted residual factors for all reflections included in the refinement | 0.153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181257 (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 2/23/35. |
2233522.cif 2233522.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. |
2233522.cif 2233522.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233522.cif 2233522.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. | 2233522.cif 2233522.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233522.cif 2233522.hkl |
| 38318 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2233522 via cif-deposit CGI script. |
2233522.cif |
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Users of the data should acknowledge the original authors of the
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