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Information card for entry 4115637
Preview
Coordinates | 4115637.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H41 Fe N2 O3 P |
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Calculated formula | C160 H164 Fe4 N8 O12 P4 |
Title of publication | Highly Regio- and Enantioselective Pd-Catalyzed Allylic Alkylation and Amination of Monosubstituted Allylic Acetates with Novel Ferrocene P,N-Ligands |
Authors of publication | Shu-Li You; Xia-Zhen Zhu; Yu-Mei Luo; Xue-Long Hou; Li-Xin Dai |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 7471 - 7472 |
a | 17.917 ± 0.002 Å |
b | 19.423 ± 0.007 Å |
c | 9.987 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3475.5 ± 1.4 Å3 |
Cell temperature | 20 K |
Ambient diffraction temperature | 20 K |
Number of distinct elements | 6 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.04 |
Goodness-of-fit parameter for significantly intense reflections | 1.27 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKalpha |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4115637.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115637.cif |
69239 | 2012-12-04 | cif/ Adding structures of 4115637 via cif-deposit CGI script. |
4115637.cif |
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Users of the data should acknowledge the original authors of the
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