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Information card for entry 1569886
Preview
| Coordinates | 1569886.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (1R,2R,3R,4R,5R)-trimethyl bicyclo[2.2.2]oct-7-ene-2,3,5-tricarboxylate |
|---|---|
| Formula | C14 H18 O6 |
| Calculated formula | C14 H18 O6 |
| SMILES | COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2C=C[C@@H]1[C@@H](C2)C(=O)OC.COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H]2C=C[C@H]1[C@H](C2)C(=O)OC |
| Title of publication | Understanding structure–activity relationships: iron(ii) complexes of “Legacy Guanidines” as catalysts for the synthesis of polylactide |
| Authors of publication | Conrads, Christian; Burkart, Lisa; Soerensen, Sven; Noichl, Sandra; Kara, Yasemin; Heck, Joshua; Hoffmann, Alexander; Herres-Pawlis, Sonja |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 20 |
| Pages of publication | 6006 - 6021 |
| a | 6.158 ± 0.004 Å |
| b | 10.149 ± 0.007 Å |
| c | 11.482 ± 0.007 Å |
| α | 76.503 ± 0.017° |
| β | 79.869 ± 0.018° |
| γ | 89.31 ± 0.02° |
| Cell volume | 686.6 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.1887 |
| Residual factor for significantly intense reflections | 0.1463 |
| Weighted residual factors for significantly intense reflections | 0.3893 |
| Weighted residual factors for all reflections included in the refinement | 0.4118 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.163 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287289 (current) | 2023-11-06 | cif/ Updating files of 1569886, 1569887, 1569888, 1569889, 1569890, 1569891, 1569892, 1569893 Original log message: Adding full bibliography for 1569886--1569893.cif. |
1569886.cif |
| 286388 | 2023-09-19 | cif/ Adding structures of 1569886, 1569887, 1569888, 1569889, 1569890, 1569891, 1569892, 1569893 via cif-deposit CGI script. |
1569886.cif |
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Users of the data should acknowledge the original authors of the
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