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Information card for entry 1554737
Preview
Coordinates | 1554737.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H39 Cl4 N3 Ni O3 |
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Calculated formula | C36 H39 Cl4 N3 Ni O3 |
SMILES | [Ni]123N(c4c(C(=[N]2[C@H](C(=O)O1)CC1(CCCCC1)C)c1ccccc1)cccc4)C(=O)[C@H]1[N]3(CCC1)Cc1ccccc1.ClC(Cl)(Cl)Cl |
Title of publication | A general synthesis of unnatural α-amino acids by iron-catalysed olefin‒olefin coupling via generated radicals |
Authors of publication | Larionov, Vladimir A.; Stoletova, Nadezhda V.; Kovalev, Vladislav I.; Smol'yakov, Alexander F.; Savel'yeva, Tat'yana F.; Maleev, Victor I. |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 8 |
Pages of publication | 1094 |
a | 11.452 ± 0.0009 Å |
b | 13.8346 ± 0.0012 Å |
c | 22.8016 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3612.5 ± 0.5 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 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 all reflections | 0.0869 |
Residual factor for significantly intense reflections | 0.0634 |
Weighted residual factors for significantly intense reflections | 0.1587 |
Weighted residual factors for all reflections included in the refinement | 0.1773 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1554737.html
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