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Information card for entry 7704532
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Coordinates | 7704532.cif |
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Original paper (by DOI) | HTML |
Chemical name | ((1R,2S)-1-(((E)-(2-((((S)-1-Benzyl-2-pyrrolidinyl)carbonyl)amino)-phenyl)-(phenyl)methylidene)amine)-2-(methoxycarbonyl)cyclopropanecarboxylato-N,N',N'',O)-nickel(ii) |
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Formula | C31 H29 N3 Ni O5 |
Calculated formula | C31 H29 N3 Ni O5 |
Title of publication | Solvent-triggered stereoselectivity of α,α-cyclopropanation of amino acids in the Ni(ii) chiral coordination environment. |
Authors of publication | Levitskiy, Oleg A.; Aglamazova, Olga I.; Grishin, Yuri K.; Paseshnichenko, Ksenia A.; Soloshonok, Vadim A.; Moriwaki, Hiroki; Magdesieva, Tatiana V. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 25 |
Pages of publication | 8636 - 8644 |
a | 8.5849 ± 0.0002 Å |
b | 10.7515 ± 0.0002 Å |
c | 29.4255 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2715.99 ± 0.09 Å3 |
Cell temperature | 292 ± 2 K |
Ambient diffraction temperature | 292 ± 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 | 0.0664 |
Residual factor for significantly intense reflections | 0.0629 |
Weighted residual factors for significantly intense reflections | 0.1799 |
Weighted residual factors for all reflections included in the refinement | 0.184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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