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Information card for entry 2242384
Preview
| Coordinates | 2242384.cif |
|---|---|
| Structure factors | 2242384.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate |
|---|---|
| Formula | C26 H20 O5 |
| Calculated formula | C26 H20 O5 |
| SMILES | c1cccc2c1C(=O)C(C(=C2c1ccccc1)C(=O)OC)(c1ccccc1)C(=O)OC |
| Title of publication | Crystal structure of dimethyl 1-oxo-2,4-diphenyl-1,2-dihydronaphthalene-2,3-dicarboxylate |
| Authors of publication | Jagadeesan, Gajendran; Chandramalar, Immanuel Monica; Karunakaran, Jayachandran; Gopinath, Solaiappan; Mohanakrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 349 - 351 |
| a | 15.8021 ± 0.0008 Å |
| b | 7.4706 ± 0.0004 Å |
| c | 17.8599 ± 0.0009 Å |
| α | 90° |
| β | 96.581 ± 0.002° |
| γ | 90° |
| Cell volume | 2094.49 ± 0.19 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0588 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.1077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206433 (current) | 2018-02-14 | cif/ hkl/ Adding structures of 2242384 via cif-deposit CGI script. |
2242384.cif 2242384.hkl |
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Users of the data should acknowledge the original authors of the
structural data.