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Information card for entry 4114346
Preview
| Coordinates | 4114346.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H52 Si4 |
|---|---|
| Calculated formula | C48 H52 Si4 |
| SMILES | c12ccccc1C1=C(c3c(cc4C5=C(c6c(cccc6)[Si]5(C)C)[Si](c4c3)(C)C)[Si]1(C)C)[Si]2(C)C.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Bis-Silicon-Bridged Stilbene Homologues Synthesized by New Intramolecular Reductive Double Cyclization |
| Authors of publication | Shigehiro Yamaguchi; Caihong Xu; Kohei Tamao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 13662 - 13663 |
| a | 8.1904 ± 0.0003 Å |
| b | 28.139 ± 0.001 Å |
| c | 9.196 ± 0.0004 Å |
| α | 90° |
| β | 92.723 ± 0.003° |
| γ | 90° |
| Cell volume | 2117.01 ± 0.14 Å3 |
| Cell temperature | 173.2 K |
| Ambient diffraction temperature | 173.2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.0481 |
| Weighted residual factors for significantly intense reflections | 0.0701 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4114346.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4114346.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114346.cif |
| 67643 | 2012-10-01 | cif/ Adding structures of 4114346 via cif-deposit CGI script. |
4114346.cif |
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Users of the data should acknowledge the original authors of the
structural data.