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Information card for entry 7206090
Preview
| Coordinates | 7206090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | Isopropyl anthracene-9-carboxylate |
|---|---|
| Chemical name | Isopropyl anthracene-9-carboxylate |
| Formula | C18 H16 O2 |
| Calculated formula | C18 H16 O2 |
| SMILES | O=C(OC(C)C)c1c2ccccc2cc2ccccc12 |
| 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 | 26.69 ± 0.005 Å |
| b | 7.591 ± 0.001 Å |
| c | 16.814 ± 0.003 Å |
| α | 90° |
| β | 122.01 ± 0.03° |
| γ | 90° |
| Cell volume | 2888.6 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0977 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1543 |
| Weighted residual factors for all reflections included in the refinement | 0.1689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 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. |
7206090.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. |
7206090.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7206090.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206090.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206090.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. |
7206090.cif |
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Users of the data should acknowledge the original authors of the
structural data.