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Information card for entry 2237461
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| Coordinates | 2237461.cif |
|---|---|
| Structure factors | 2237461.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene |
|---|---|
| Formula | C28 H52 Si8 |
| Calculated formula | C28 H52 Si8 |
| SMILES | c12c3[Si](C)(C)[Si](c3c(cc2)[Si](C)(C)[Si](c2c3c(c(cc2)[Si](C)(C)[Si]1(C)C)[Si](C)(C)[Si]3(C)C)(C)C)(C)C |
| Title of publication | <i>anti</i>-2,2,3,3,6,6,7,7,10,10,11,11,14,14,15,15-Hexadecamethyl-2,3,6,7,10,11,14,15-octasilapentacyclo[10.4.2.2^4,9^.0^5,8^.0^13,16^]icosa-1(17),4,8,12(18),13(16),19-hexaene |
| Authors of publication | Toma, Yuki; Otsuka, Kyohei; Kyushin, Soichiro |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 3 |
| Pages of publication | o341 |
| a | 7.9801 ± 0.0008 Å |
| b | 18.9087 ± 0.0014 Å |
| c | 12.6222 ± 0.001 Å |
| α | 90° |
| β | 104.279 ± 0.0009° |
| γ | 90° |
| Cell volume | 1845.8 ± 0.3 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 | 0.0293 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181296 (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 2/23/74. |
2237461.cif 2237461.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. |
2237461.cif 2237461.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. |
2237461.cif 2237461.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237461.cif 2237461.hkl |
| 78742 | 2013-04-02 | cif/ Adding structures of 2237461 via cif-deposit CGI script. |
2237461.cif |
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Users of the data should acknowledge the original authors of the
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