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Information card for entry 2237974
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| Coordinates | 2237974.cif |
|---|---|
| Structure factors | 2237974.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6,12-Bis[(tricyclohexylsilyl)ethynyl]indeno[1,2-<i>b</i>]fluorene |
|---|---|
| Formula | C60 H76 Si2 |
| Calculated formula | C60 H76 Si2 |
| SMILES | c1c2c(c3c(c2C#C[Si](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cccc3)cc2c1c1c(c2C#C[Si](C2CCCCC2)(C2CCCCC2)C2CCCCC2)cccc1 |
| Title of publication | 6,12-Bis[(tricyclohexylsilyl)ethynyl]indeno[1,2-<i>b</i>]fluorene |
| Authors of publication | Rose, Bradley D.; Zakharov, Lev N.; Haley, Michael M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o890 |
| a | 20.219 ± 0.007 Å |
| b | 7.246 ± 0.002 Å |
| c | 33.885 ± 0.011 Å |
| α | 90° |
| β | 103.017 ± 0.007° |
| γ | 90° |
| Cell volume | 4837 ± 3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1672 |
| Residual factor for significantly intense reflections | 0.0761 |
| Weighted residual factors for significantly intense reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237974.cif 2237974.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. |
2237974.cif 2237974.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237974.cif 2237974.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237974.cif 2237974.hkl |
| 86671 | 2013-07-11 | cif/ Adding structures of 2237974 via cif-deposit CGI script. |
2237974.cif |
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Users of the data should acknowledge the original authors of the
structural data.