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Information card for entry 4036450
Preview
Coordinates | 4036450.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 Fe N2 O4 |
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Calculated formula | C24 H24 Fe N2 O4 |
SMILES | [Fe]12345678([cH]9[cH]1[cH]6[cH]3[c]29[C@@H]([C@]1(N=C(c2ccccc2)CC1)C(=O)OC)CN(=O)=O)[cH]1[cH]4[cH]5[cH]7[cH]81 |
Title of publication | Copper- and Silver-Catalyzed Diastereo- and Enantioselective Conjugate Addition Reaction of 1-Pyrroline Esters to Nitroalkenes: Diastereoselectivity Switch by Chiral Metal Complexes. |
Authors of publication | Koizumi, Akihiro; Kimura, Midori; Arai, Yuri; Tokoro, Yuichiro; Fukuzawa, Shin-ichi |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 21 |
Pages of publication | 10883 - 10891 |
a | 5.962 ± 0.002 Å |
b | 15.826 ± 0.006 Å |
c | 22.366 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2110.3 ± 1.4 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0624 |
Residual factor for significantly intense reflections | 0.0492 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1263 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.746 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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