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Information card for entry 4517153
Preview
| Coordinates | 4517153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 O4 |
|---|---|
| Calculated formula | C11 H14 O4 |
| SMILES | C1(=O)O[C@@](CO1)(C)[C@@H]1CC=C(C(=O)C1)C |
| Title of publication | Synthesis of Bio-Derived Cyclic Carbonates from Renewable Resources |
| Authors of publication | de la Cruz-Martínez, Felipe; Martínez de Sarasa Buchaca, Marc; Martínez, Javier; Fernández-Baeza, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio; Castro-Osma, José A.; Lara-Sánchez, Agustín |
| Journal of publication | ACS Sustainable Chemistry & Engineering |
| Year of publication | 2019 |
| a | 7.743 ± 0.005 Å |
| b | 5.358 ± 0.005 Å |
| c | 25.066 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1039.9 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0354 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0817 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243793 (current) | 2019-11-28 | cif/ Adding structures of 4517153 via cif-deposit CGI script. |
4517153.cif |
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Users of the data should acknowledge the original authors of the
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