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Information card for entry 7206050
Preview
| Coordinates | 7206050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C17 H14 O2 |
|---|---|
| Calculated formula | C17 H14 O2 |
| SMILES | c1cccc2c1c(c1ccccc1c2)C(=O)OCC |
| 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 | 8.5056 ± 0.0007 Å |
| b | 10.1688 ± 0.0008 Å |
| c | 14.4684 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1251.4 ± 0.18 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0895 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| 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. |
7206050.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. |
7206050.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. |
7206050.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 {}' |
7206050.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206050.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206050.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. |
7206050.cif |
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Users of the data should acknowledge the original authors of the
structural data.