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Information card for entry 1504432
Preview
Coordinates | 1504432.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H78 Ca2 Cl2 N4 O4 |
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Calculated formula | C46 H78 Ca2 Cl2 N4 O4 |
SMILES | [Ca]123(Oc4c(cc(cc4C=[N]1CC[N]2(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[Cl][Ca]12(Oc4c(cc(cc4C=[N]1CC[N]2(C)C)C(C)(C)C)C(C)(C)C)([O]1CCCC1)[Cl]3 |
Title of publication | Ring-Opening Polymerization of Cyclic Monomers by Complexes Derived from Biocompatible Metals. Production of Poly(lactide), Poly(trimethylene carbonate), and Their Copolymers |
Authors of publication | Darensbourg, Donald J.; Choi, Wonsook; Karroonnirun, Osit; Bhuvanesh, Nattamai |
Journal of publication | Macromolecules |
Year of publication | 2008 |
Journal volume | 41 |
Journal issue | 10 |
Pages of publication | 3493 |
a | 19.4608 ± 0.001 Å |
b | 19.4608 ± 0.001 Å |
c | 13.794 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5224.1 ± 0.5 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 85 |
Hermann-Mauguin space group symbol | P 4/n :2 |
Hall space group symbol | -P 4a |
Residual factor for all reflections | 0.0985 |
Residual factor for significantly intense reflections | 0.0675 |
Weighted residual factors for significantly intense reflections | 0.1659 |
Weighted residual factors for all reflections included in the refinement | 0.1753 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504432.cif |
120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504432.cif |
42046 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504432 via cif-deposit CGI script. |
1504432.cif |
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Users of the data should acknowledge the original authors of the
structural data.