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Information card for entry 4115608
Preview
Coordinates | 4115608.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H43 F6 Fe N O P Pd Sb |
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Calculated formula | C88 H86 F12 Fe2 N2 O2 P2 Pd2 Sb2 |
Title of publication | Importance of Planar Chirality in Chiral Catalysts with Three Chiral Elements: The Role of Planar Chirality in 2'-Substituted 1,1'-P,N-Ferrocene Ligands on the Enantioselectivity in Pd-Catalyzed Allylic Substitution |
Authors of publication | Wei-Ping Deng; Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia; Jie Sun |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 6508 - 6519 |
a | 10.296 ± 0.001 Å |
b | 20.146 ± 0.002 Å |
c | 10.392 ± 0.001 Å |
α | 90° |
β | 101.86 ± 0.01° |
γ | 90° |
Cell volume | 2109.5 ± 0.4 Å3 |
Cell temperature | 20 K |
Ambient diffraction temperature | 20 K |
Number of distinct elements | 9 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.037 |
Goodness-of-fit parameter for significantly intense reflections | 1.26 |
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. |
4115608.cif |
120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4115608.cif |
69210 | 2012-12-04 | cif/ Adding structures of 4115608 via cif-deposit CGI script. |
4115608.cif |
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Users of the data should acknowledge the original authors of the
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