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Information card for entry 2240866
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| Coordinates | 2240866.cif |
|---|---|
| Structure factors | 2240866.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,4-Diethoxy-9,10-anthraquinone |
|---|---|
| Formula | C18 H16 O4 |
| Calculated formula | C18 H16 O4 |
| SMILES | c1(ccc(c2C(=O)c3ccccc3C(=O)c12)OCC)OCC |
| Title of publication | Crystal structure of 1,4-diethoxy-9,10-anthraquinone |
| Authors of publication | Kitamura, Chitoshi; Li, Sining; Takehara, Munenori; Inoue, Yoshinori; Ono, Katsuhiko; Kawase, Takeshi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o504 - o505 |
| a | 13.5514 ± 0.0011 Å |
| b | 14.7204 ± 0.0011 Å |
| c | 14.5905 ± 0.001 Å |
| α | 90° |
| β | 90.604 ± 0.003° |
| γ | 90° |
| Cell volume | 2910.4 ± 0.4 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 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 | 0.1239 |
| Residual factor for significantly intense reflections | 0.0761 |
| Weighted residual factors for significantly intense reflections | 0.2024 |
| Weighted residual factors for all reflections included in the refinement | 0.2726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240866.cif 2240866.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240866.cif 2240866.hkl |
| 139610 | 2015-06-25 | cif/ hkl/ Adding structures of 2240866 via cif-deposit CGI script. |
2240866.cif 2240866.hkl |
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Users of the data should acknowledge the original authors of the
structural data.