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Information card for entry 2311656
Preview
| Coordinates | 2311656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Dibenzyl succinate |
|---|---|
| Formula | C18 H18 O4 |
| Calculated formula | C18 H18 O4 |
| SMILES | c1(ccccc1)COC(=O)CCC(=O)OCc1ccccc1 |
| Title of publication | Succinate esters: odd-even effects in melting points. |
| Authors of publication | Joseph, Sumy; Sathishkumar, Ranganathan |
| Journal of publication | Acta crystallographica Section B, Structural science, crystal engineering and materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | Pt 5 |
| Pages of publication | 839 - 846 |
| a | 10.219 ± 0.003 Å |
| b | 8.26 ± 0.003 Å |
| c | 17.923 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1512.9 ± 0.8 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0501 |
| Weighted residual factors for significantly intense reflections | 0.128 |
| Weighted residual factors for all reflections included in the refinement | 0.1316 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301809 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
2311656.cif |
| 246070 | 2019-12-26 | cif/ Adding structures of 2311651, 2311652, 2311653, 2311654, 2311655, 2311656 via cif-deposit CGI script. |
2311656.cif |
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Users of the data should acknowledge the original authors of the
structural data.