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Information card for entry 4326063
Preview
| Coordinates | 4326063.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Me2adb |
|---|---|
| Chemical name | 9,10 bis(p-(4-methoxycarbonyl)phenyl)anthracene |
| Formula | C30 H22 O4 |
| Calculated formula | C30 H22 O4 |
| SMILES | C(=O)(OC)c1ccc(c2c3c(c(c4c2cccc4)c2ccc(C(=O)OC)cc2)cccc3)cc1 |
| Title of publication | Flexible and Hydrophobic Zn-Based Metal-Organic Framework |
| Authors of publication | Ines Maria Hauptvogel; Ralf Biedermann; Nicole Klein; Irena Senkovska; Amandine Cadiau; Dirk Wallacher; Ralf Feyerherm; Stefan Kaskel |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 8367 - 8374 |
| a | 9.3858 ± 0.0017 Å |
| b | 15.6894 ± 0.0016 Å |
| c | 7.5523 ± 0.0011 Å |
| α | 90° |
| β | 93.544 ± 0.013° |
| γ | 90° |
| Cell volume | 1110 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0853 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4326063.cif |
| 179363 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/60. |
4326063.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326063.cif |
| 47104 | 2012-03-22 | ../uploads/cif-deposit/cod/cif Adding structures of 4326063 via cif-deposit CGI script. |
4326063.cif |
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Users of the data should acknowledge the original authors of the
structural data.