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Information card for entry 1520587
Preview
Coordinates | 1520587.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H45.67 Al N2 O3 |
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Calculated formula | C29 H41 Al N2 O3 |
SMILES | [Al]123(OC(C)C)[N]4(Cc5c(O1)c(cc(c5)C)C)CCC[C@H]4[C@@H]1[N]2(CCC1)Cc1c(O3)c(cc(c1)C)C |
Title of publication | Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide |
Authors of publication | Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P. |
Journal of publication | Chem. Sci. |
Year of publication | 2015 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 5034 |
a | 26.2561 ± 0.0001 Å |
b | 26.2561 ± 0.0001 Å |
c | 26.2561 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 18100.5 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 205 |
Hermann-Mauguin space group symbol | P a -3 |
Hall space group symbol | -P 2ac 2ab 3 |
Residual factor for all reflections | 0.0633 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1671 |
Weighted residual factors for all reflections included in the refinement | 0.1716 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.101 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
153075 (current) | 2015-08-08 | cif/ Updating files of 1520580, 1520581, 1520582, 1520583, 1520584, 1520585, 1520586, 1520587, 1520588 Original log message: Adding full bibliography for 1520580--1520588.cif. |
1520587.cif |
139371 | 2015-06-19 | cif/ Adding structures of 1520580, 1520581, 1520582, 1520583, 1520584, 1520585, 1520586, 1520587, 1520588 via cif-deposit CGI script. |
1520587.cif |
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Users of the data should acknowledge the original authors of the
structural data.