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Information card for entry 2240682
Preview
| Coordinates | 2240682.cif |
|---|---|
| Structure factors | 2240682.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 2-(11-Oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione |
|---|---|
| Formula | C25 H14 O4 |
| Calculated formula | C25 H14 O4 |
| SMILES | O1C2=C(C(c3c1cccc3)C1C(=O)c3ccccc3C1=O)C(=O)c1ccccc21 |
| Title of publication | Crystal structure of 2-(11-oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antanr A.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o333 - o334 |
| a | 8.7409 ± 0.0002 Å |
| b | 14.474 ± 0.0003 Å |
| c | 14.2774 ± 0.0003 Å |
| α | 90° |
| β | 101.141 ± 0.001° |
| γ | 90° |
| Cell volume | 1772.28 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0377 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for significantly intense reflections | 0.0872 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240682.cif 2240682.hkl |
| 181906 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240682.cif 2240682.hkl |
| 136464 | 2015-05-13 | cif/ hkl/ Adding structures of 2240682 via cif-deposit CGI script. |
2240682.cif 2240682.hkl |
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