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Information card for entry 7028474
Preview
| Coordinates | 7028474.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Chisholm 1955 |
|---|---|
| Formula | C46 H72 Mg N4 O4 |
| Calculated formula | C46 H72 Mg N4 O4 |
| SMILES | CCOCC.c1(c(cccc1C(C)C)C(C)C)N1C(=CC(=[N](c2c(cccc2C(C)C)C(C)C)[Mg]21([O]=C(C(C)(C)O2)OCC)[n]1ccc(cc1)N(C)C)C)C |
| Title of publication | Ethyl 2-hydroxy-2-methylpropanoate derivatives of magnesium and zinc. The effect of chelation on the homo- and copolymerization of lactide and ε-caprolactone. |
| Authors of publication | Balasanthiran, Vagulejan; Chisholm, Malcolm H.; Choojun, Kittisak; Durr, Christopher B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 7 |
| Pages of publication | 2781 - 2788 |
| a | 17.5272 ± 0.0004 Å |
| b | 15.8378 ± 0.0004 Å |
| c | 18.0904 ± 0.0003 Å |
| α | 90° |
| β | 113.847 ± 0.001° |
| γ | 90° |
| Cell volume | 4593.04 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0767 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296814 (current) | 2024-12-10 | Changed data name '_diffrn_reflns_point_group_measured_fraction_ful' to '_diffrn_reflns_point_group_measured_fraction_full' in multiple entries. |
7028474.cif |
| 179990 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84. |
7028474.cif |
| 105332 | 2014-03-12 | cif/ Adding structures of 7028473, 7028474 via cif-deposit CGI script. |
7028474.cif |
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Users of the data should acknowledge the original authors of the
structural data.