Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4000445
Preview
| Coordinates | 4000445.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H18 O2 |
|---|---|
| Calculated formula | C21 H15 O2 |
| SMILES | COc1c2[C@@H]3C=C[C@H](c2c(c2c1cc1ccccc1c2)OC)C3 |
| Title of publication | Preparation and Luminescence Properties of Polymers Containing Dialkoxyacenes |
| Authors of publication | Tsai, Mu-Lin; Liu, Ching-Yang; Wang, Ya-Yun; Chen, Jao-yu; Chou, Teh-Chang; Lin, Hsiu-Mei; Tsai, Sheng-Heng; Chow, Tahsin J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2004 |
| Journal volume | 16 |
| Journal issue | 17 |
| Pages of publication | 3373 - 3380 |
| a | 10.719 ± 0.003 Å |
| b | 11.444 ± 0.002 Å |
| c | 13.315 ± 0.003 Å |
| α | 85.567 ± 0.017° |
| β | 87.28 ± 0.02° |
| γ | 73.885 ± 0.019° |
| Cell volume | 1563.9 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1896 |
| Residual factor for significantly intense reflections | 0.0515 |
| Weighted residual factors for significantly intense reflections | 0.1445 |
| Weighted residual factors for all reflections included in the refinement | 0.2011 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277839 (current) | 2022-09-14 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4000445.cif |
| 270062 | 2021-10-23 | cif/4/00/04/ Updated bibliographic information in entry 4000445. |
4000445.cif |
| 170537 | 2015-11-25 | cif/4 Fixing Z and Z' values and formulae |
4000445.cif |
| 120677 | 2014-07-23 | cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot. |
4000445.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4000445.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4000445.cif |
| 129 | 2008-02-21 | 29 files corrected. |
4000445.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4000445.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4000445.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4000445.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4000445.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.