Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7206051
Preview
| Coordinates | 7206051.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C18 H16 O2 |
|---|---|
| Calculated formula | C18 H16 O2 |
| SMILES | c1cccc2c1c(c1ccccc1c2)C(=O)OC(C)C |
| Title of publication | Solid-state photochemical and photomechanical properties of molecular crystal nanorods composed of anthracene ester derivatives |
| Authors of publication | Zhu, Lingyan; Agarwal, Arun; Lai, Jinfeng; Al-Kaysi, Rabih O.; Tham, Fook S.; Ghaddar, Tarek; Mueller, Leonard; Bardeen, Christopher J. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 17 |
| Pages of publication | 6258 |
| a | 16.5454 ± 0.0012 Å |
| b | 7.5826 ± 0.0005 Å |
| c | 22.0553 ± 0.0015 Å |
| α | 90° |
| β | 95.2065 ± 0.0011° |
| γ | 90° |
| Cell volume | 2755.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0765 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1117 |
| Weighted residual factors for all reflections included in the refinement | 0.1286 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7206051.cif |
| 202017 | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7206051.cif |
| 180391 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/60. |
7206051.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7206051.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206051.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206051.cif |
| 21406 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7206041, 7206042, 7206043, 7206044, 7206045, 7206046, 7206047, 7206048, 7206049, 7206050, 7206051, 7206052, 7206053, 7206054, 7206055 via cif-deposit CGI script. |
7206051.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.