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Information card for entry 2311655
Preview
| Coordinates | 2311655.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Diallyl succinate |
|---|---|
| Formula | C10 H14 O4 |
| Calculated formula | C10 H14 O4 |
| SMILES | C(OC(=O)CCC(=O)OCC=C)C=C |
| 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 | 8.808 ± 0.005 Å |
| b | 8.553 ± 0.004 Å |
| c | 6.86 ± 0.004 Å |
| α | 90° |
| β | 97.58 ± 0.008° |
| γ | 90° |
| Cell volume | 512.3 ± 0.5 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 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 | 0.0537 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1111 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246070 (current) | 2019-12-26 | cif/ Adding structures of 2311651, 2311652, 2311653, 2311654, 2311655, 2311656 via cif-deposit CGI script. |
2311655.cif |
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Users of the data should acknowledge the original authors of the
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