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Information card for entry 4515235
Preview
Coordinates | 4515235.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | RD-4-34 |
---|---|
Formula | C18 H23 N O3 |
Calculated formula | C18 H23 N O3 |
SMILES | OC(=O)[C@H](C(=O)N)[C@@H](CCc1ccccc1)C1=CCCCC1.OC(=O)[C@@H](C(=O)N)[C@H](CCc1ccccc1)C1=CCCCC1 |
Title of publication | Ni(I)-Catalyzed β,δ-Vinylarylation of γ,δ-Alkenyl α-Cyanocarboxylic Esters via Contraction of Transient Nickellacycles |
Authors of publication | Dhungana, Roshan K.; KC, Shekhar; Basnet, Prakash; Aryal, Vivek; Chesley, Lucas J.; Giri, Ramesh |
Journal of publication | ACS Catalysis |
Year of publication | 2019 |
Pages of publication | 10887 |
a | 11.8576 ± 0.0009 Å |
b | 9.505 ± 0.0007 Å |
c | 31.686 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3571.2 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.09 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1273 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4515235.html
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