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Information card for entry 2018783
Preview
| Coordinates | 2018783.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | ChemSpider; PubChem |
| Chemical name | 1,8-dichloroanthracene |
|---|---|
| Formula | C14 H8 Cl2 |
| Calculated formula | C14 H8 Cl2 |
| SMILES | Clc1cccc2cc3cccc(Cl)c3cc12 |
| Title of publication | Two polymorphs of 1,8-dichloroanthracene |
| Authors of publication | Müller, Peter; Fronczek, Frank R.; Smith, Stacey J.; Mako, Teresa; Levine, Mindy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 2 |
| Pages of publication | 199 - 203 |
| a | 19.007 ± 0.0014 Å |
| b | 3.8621 ± 0.0003 Å |
| c | 15.137 ± 0.0011 Å |
| α | 90° |
| β | 107.41 ± 0.0015° |
| γ | 90° |
| Cell volume | 1060.25 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0305 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.146 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301798 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/01 Each referenced PubChem compound corresponds to the full crystal structure. |
2018783.cif |
| 201957 | 2017-10-13 | cif/2/ Marking COD entries in range 2/01 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2018783.cif |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018783.cif |
| 75328 | 2013-03-09 | cif/ Adding structures of 2018783, 2018784 via cif-deposit CGI script. |
2018783.cif |
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Users of the data should acknowledge the original authors of the
structural data.