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Information card for entry 1504069
Preview
Coordinates | 1504069.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H36 F6 Mn N4 O6 S2 |
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Calculated formula | C34 H36 F6 Mn N4 O6 S2 |
SMILES | [Mn]123(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[N]([C@@H]4CCCC[C@H]4[N]1([C@@H](c1[n]2cccc1)c1ccccc1)C)([C@H](c1ccccc1)c1[n]3cccc1)C |
Title of publication | Asymmetric epoxidation of olefins with chiral bioinspired manganese complexes. |
Authors of publication | Wu, Mei; Wang, Bin; Wang, Shoufeng; Xia, Chungu; Sun, Wei |
Journal of publication | Organic letters |
Year of publication | 2009 |
Journal volume | 11 |
Journal issue | 16 |
Pages of publication | 3622 - 3625 |
a | 15.0588 ± 0.0013 Å |
b | 15.0588 ± 0.0013 Å |
c | 15.827 ± 0.0016 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3589 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 96 |
Hermann-Mauguin space group symbol | P 43 21 2 |
Hall space group symbol | P 4nw 2abw |
Residual factor for all reflections | 0.0643 |
Residual factor for significantly intense reflections | 0.0374 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0899 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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. |
1504069.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504069.cif |
39348 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1504069 via cif-deposit CGI script. |
1504069.cif |
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Users of the data should acknowledge the original authors of the
structural data.