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Information card for entry 2018343
Preview
| Coordinates | 2018343.cif |
|---|---|
| Structure factors | 2018343.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl |
|---|---|
| Formula | C66 H42 F4 |
| Calculated formula | C66 H42 F4 |
| SMILES | Fc1c(c(F)c(c(c1F)c1cc(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)F)c1cc(c2ccccc2)c(c(c1c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | 2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl and 2',3',5',6'-tetrafluoro-2,2'',3,3'',4,4'',5,5''-octaphenyl-1,1':4',1''-terphenyl |
| Authors of publication | Budy, Stephen M.; Nichol, Gary S.; Loy, Douglas A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o23 - o27 |
| a | 19.7494 ± 0.0009 Å |
| b | 6.1217 ± 0.0003 Å |
| c | 20.4762 ± 0.001 Å |
| α | 90° |
| β | 109.754 ± 0.002° |
| γ | 90° |
| Cell volume | 2329.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1121 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180852 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/83. |
2018343.cif 2018343.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018343.cif 2018343.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018343.cif 2018343.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. | 2018343.cif 2018343.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018343.cif 2018343.hkl |
| 32182 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018342, 2018343 via cif-deposit CGI script. |
2018343.cif |
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