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Information card for entry 7002750
Preview
| Coordinates | 7002750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C66 H104 Mg O5 |
|---|---|
| Calculated formula | C66 H104 Mg O5 |
| SMILES | c12c(cc(cc1[C@H](c1cc(cc(c1O[Mg]1([O]2C)[O](c2c(cc(cc2[C@H](c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C.c12c(cc(cc1[C@@H](c1cc(cc(c1O[Mg]1([O]2C)[O](c2c(cc(cc2[C@@H](c2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C.O(CC)CC.O(CC)CC |
| Title of publication | Preparation and characterization of bisphenolato magnesium derivatives: an efficient catalyst for the ring-opening polymerization of ε-caprolactone and L-lactide |
| Authors of publication | Shen, Min-Yi; Peng, Ya-Liu; Hung, Wen-Chou; Lin, Chu-Chieh |
| Journal of publication | Dalton Transactions |
| Year of publication | 2009 |
| Journal issue | 44 |
| Pages of publication | 9906 - 9913 |
| a | 26.224 ± 0.004 Å |
| b | 14.652 ± 0.002 Å |
| c | 18.448 ± 0.003 Å |
| α | 90° |
| β | 105.519 ± 0.003° |
| γ | 90° |
| Cell volume | 6829.9 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.2 |
| Residual factor for significantly intense reflections | 0.0786 |
| Weighted residual factors for significantly intense reflections | 0.2071 |
| Weighted residual factors for all reflections included in the refinement | 0.2558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7002750.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7002750.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7002750.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7002750.cif |
| 1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7002750.cif |
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