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Information card for entry 4125071
Preview
Coordinates | 4125071.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H20 N2 O4 S |
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Calculated formula | C24 H20 N2 O4 S |
SMILES | S1(=O)(=O)c2c(cccc2)[C@@](N1)(C#Cc1ccccc1)C(=O)NCc1ccc(cc1)OC |
Title of publication | Mechanistic Studies and Expansion of the Substrate Scope of Direct Enantioselective Alkynylation of α-Ketiminoesters Catalyzed by Adaptable (Phebox)Rhodium(III) Complexes. |
Authors of publication | Morisaki, Kazuhiro; Sawa, Masanao; Yonesaki, Ryohei; Morimoto, Hiroyuki; Mashima, Kazushi; Ohshima, Takashi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2016 |
Journal volume | 138 |
Journal issue | 19 |
Pages of publication | 6194 - 6203 |
a | 5.73 ± 0.0008 Å |
b | 20.761 ± 0.003 Å |
c | 8.5902 ± 0.0012 Å |
α | 90° |
β | 100.442 ± 0.002° |
γ | 90° |
Cell volume | 1005 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0663 |
Residual factor for significantly intense reflections | 0.064 |
Weighted residual factors for significantly intense reflections | 0.1806 |
Weighted residual factors for all reflections included in the refinement | 0.1849 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.517 |
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/4125071.html
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Users of the data should acknowledge the original authors of the
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