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Information card for entry 7020915
Preview
| Coordinates | 7020915.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H58 Ca Cl4 N8 O2 |
|---|---|
| Calculated formula | C56 H58 Ca Cl4 N8 O2 |
| SMILES | [Ca]1234(Oc5n(c6ccccc6)nc(c5C(=[N]1CC[N]2(C)C)c1ccc(cc1)c1ccccc1)C)Oc1n(c2ccccc2)nc(c1C(=[N]3CC[N]4(C)C)c1ccc(cc1)c1ccccc1)C.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Ring-opening polymerization of l-lactide catalyzed by calcium complexes. |
| Authors of publication | Hsiao, Mon-Wei; Lin, Chu-Chieh |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 6 |
| Pages of publication | 2041 - 2051 |
| a | 27.021 ± 0.004 Å |
| b | 13.1464 ± 0.0012 Å |
| c | 17.215 ± 0.003 Å |
| α | 90° |
| β | 121.3 ± 0.02° |
| γ | 90° |
| Cell volume | 5225.2 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0681 |
| Residual factor for significantly intense reflections | 0.0521 |
| Weighted residual factors for significantly intense reflections | 0.1667 |
| Weighted residual factors for all reflections included in the refinement | 0.174 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020915.cif |
| 179914 | 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 7/02/09. |
7020915.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020915.cif |
| 73714 | 2013-02-21 | cif/ Adding structures of 7020915, 7020916 via cif-deposit CGI script. |
7020915.cif |
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Users of the data should acknowledge the original authors of the
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