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Information card for entry 2240826
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| Coordinates | 2240826.cif |
|---|---|
| Structure factors | 2240826.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2-Dibezoylacenaphthylene |
|---|---|
| Formula | C26 H16 O2 |
| Calculated formula | C26 H16 O2 |
| SMILES | O=C(c1ccccc1)C1=C(c2c3c1cccc3ccc2)C(=O)c1ccccc1 |
| Title of publication | Crystal structure of 1,2-dibenzoylacenaphthylene |
| Authors of publication | Greenberg, Fred H.; Nazarenko, Alexander Y. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o487 - o488 |
| a | 9.4578 ± 0.0004 Å |
| b | 10.2665 ± 0.0005 Å |
| c | 10.9183 ± 0.0004 Å |
| α | 71.448 ± 0.002° |
| β | 66.494 ± 0.002° |
| γ | 84.269 ± 0.002° |
| Cell volume | 921.21 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0577 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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 |
2240826.cif 2240826.hkl |
| 139194 | 2015-06-14 | cif/ hkl/ Adding structures of 2240826 via cif-deposit CGI script. |
2240826.cif 2240826.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.