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Information card for entry 4130095
Preview
Coordinates | 4130095.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H22 Fe N2 O |
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Calculated formula | C19 H22 Fe N2 O |
SMILES | [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[c]7([c]81CN(C)C)c1n(c(cc1)C=O)C |
Title of publication | An Enantioselective Oxidative C-H/C-H Cross-Coupling Reaction: Highly Efficient Method To Prepare Planar Chiral Ferrocenes. |
Authors of publication | Gao, De-Wei; Gu, Qing; You, Shu-Li |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 8 |
Pages of publication | 2544 - 2547 |
a | 8.4957 ± 0.0007 Å |
b | 13.2816 ± 0.001 Å |
c | 14.4218 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1627.3 ± 0.2 Å3 |
Cell temperature | 130 K |
Ambient diffraction temperature | 130 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 | 0.0311 |
Residual factor for significantly intense reflections | 0.0269 |
Weighted residual factors for significantly intense reflections | 0.0629 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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