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Information card for entry 4063505
Preview
| Coordinates | 4063505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H54 Si2 |
|---|---|
| Calculated formula | C52 H54 Si2 |
| SMILES | c1ccccc1C1=CC(=C(\C(=C\c2ccc(/C=C(/C(=C3\C=C(c4ccccc4)[Si]3(C)C)c3ccccc3)\CCC)cc2)CCC)/c2ccccc2)/[Si]1(C)C |
| Title of publication | Star-Shaped Silacyclobutene-Containing π-Systems: Synthesis and Optical Properties |
| Authors of publication | Liu, Junhui; Zhang, Shaoguang; Zhang, Wen-Xiong; Xi, Zhenfeng |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 413 - 417 |
| a | 19.893 ± 0.004 Å |
| b | 13.359 ± 0.003 Å |
| c | 8.8375 ± 0.0018 Å |
| α | 90° |
| β | 97.14 ± 0.03° |
| γ | 90° |
| Cell volume | 2330.4 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.1407 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301829 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure. |
4063505.cif |
| 178530 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/35. |
4063505.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063505.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063505.cif |
| 22834 | 2011-07-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4063505 via cif-deposit CGI script. |
4063505.cif |
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