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Information card for entry 1505240
Preview
| Coordinates | 1505240.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H22 S2 Si2 |
|---|---|
| Calculated formula | C26 H22 S2 Si2 |
| SMILES | s1c2c([Si](c3cc4c([Si](c5c4sc4c5cccc4)(C)C)cc23)(C)C)c2c1cccc2 |
| Title of publication | Ladder distyrylbenzenes with silicon and chalcogen bridges: synthesis, structures, and properties. |
| Authors of publication | Mouri, Kazuhiro; Wakamiya, Atsushi; Yamada, Hiroshi; Kajiwara, Takashi; Yamaguchi, Shigehiro |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 1 |
| Pages of publication | 93 - 96 |
| a | 8.9171 ± 0.0015 Å |
| b | 10.8286 ± 0.0017 Å |
| c | 11.756 ± 0.002 Å |
| α | 90 ± 0.0007° |
| β | 94.3574 ± 0.0007° |
| γ | 90 ± 0.0007° |
| Cell volume | 1131.9 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0741 |
| Weighted residual factors for all reflections included in the refinement | 0.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505240.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505240.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505240.cif |
| 45446 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505240 via cif-deposit CGI script. |
1505240.cif |
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Users of the data should acknowledge the original authors of the
structural data.