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Information card for entry 4126208
Preview
Coordinates | 4126208.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H23 Cl2 N3 O3 |
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Calculated formula | C21 H23 Cl2 N3 O3 |
SMILES | Cl[C@H]([C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1)C(=O)N1c2ncccc2CC1 |
Title of publication | α-Halo Amides as Competent Latent Enolates: Direct Catalytic Asymmetric Mannich-Type Reaction. |
Authors of publication | Sun, Bo; Balaji, Pandur Venkatesan; Kumagai, Naoya; Shibasaki, Masakatsu |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 24 |
Pages of publication | 8295 - 8301 |
a | 9.6942 ± 0.0003 Å |
b | 10.5648 ± 0.0003 Å |
c | 20.0832 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2056.87 ± 0.11 Å3 |
Cell temperature | 93 K |
Ambient diffraction temperature | 93 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 | 0.076 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.1133 |
Weighted residual factors for all reflections included in the refinement | 0.116 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
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/4126208.html
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