Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1505242
Preview
| Coordinates | 1505242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C26 H22 Se2 Si2 |
|---|---|
| Calculated formula | C26 H22 Se2 Si2 |
| SMILES | c1cccc2c1[Si](c1c2[se]c2c1cc1c(c2)c2c([se]1)c1c([Si]2(C)C)cccc1)(C)C |
| 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 | 8.8891 ± 0.0016 Å |
| b | 9.8528 ± 0.0018 Å |
| c | 26.162 ± 0.005 Å |
| α | 90 ± 0.001° |
| β | 90.8205 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 2291.1 ± 0.7 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0353 |
| Residual factor for significantly intense reflections | 0.0282 |
| Weighted residual factors for significantly intense reflections | 0.0652 |
| Weighted residual factors for all reflections included in the refinement | 0.0688 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505242.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. |
1505242.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505242.cif |
| 45448 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505242 via cif-deposit CGI script. |
1505242.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.