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Information card for entry 7206086
Preview
| Coordinates | 7206086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Isopropyl anthracene-9-carboxylate dimer |
|---|---|
| Formula | C36 H32 O4 |
| Calculated formula | C36 H32 O4 |
| SMILES | C12(c3ccccc3C(c3ccccc13)C1(c3ccccc3C2c2ccccc12)C(=O)OCCC)C(=O)OCCC |
| Title of publication | Photodimerization of anthracene derivatives in their neat solid state and in solid molecular compounds |
| Authors of publication | Zouev, I.; Cao, Den-Ke; Sreevidya, T. V.; Telzhensky, M.; Botoshansky, M.; Kaftory, M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 13 |
| Pages of publication | 4376 |
| a | 11.368 ± 0.002 Å |
| b | 15.431 ± 0.003 Å |
| c | 15.462 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2712.3 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1447 |
| Residual factor for significantly intense reflections | 0.0734 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.2109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180391 (current) | 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. |
7206086.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206086.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206086.cif |
| 23520 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7206085, 7206086, 7206087, 7206088, 7206089, 7206090, 7206091, 7206092, 7206093 via cif-deposit CGI script. |
7206086.cif |
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Users of the data should acknowledge the original authors of the
structural data.