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Information card for entry 2018342
Preview
| Coordinates | 2018342.cif |
|---|---|
| Structure factors | 2018342.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'',3,3'',4,4'',5,5''-Octaphenyl-1,1':4',1''-terphenyl |
|---|---|
| Formula | C66 H46 |
| Calculated formula | C66 H46 |
| SMILES | c1ccc(cc1)c1c(cc(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(cc1)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 | 11.674 ± 0.002 Å |
| b | 33.336 ± 0.006 Å |
| c | 11.816 ± 0.002 Å |
| α | 90° |
| β | 91.479 ± 0.003° |
| γ | 90° |
| Cell volume | 4596.8 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0701 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1065 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| 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. |
2018342.cif 2018342.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. |
2018342.cif 2018342.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018342.cif 2018342.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. | 2018342.cif 2018342.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2018342.cif 2018342.hkl |
| 32182 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2018342, 2018343 via cif-deposit CGI script. |
2018342.cif |
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