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Information card for entry 1503184
Preview
Coordinates | 1503184.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H21 N O2 S |
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Calculated formula | C21 H21 N O2 S |
SMILES | S=C1O[C@@H]2[C@H](N1C(=O)C[C@H](C)c1ccc(cc1)C)c1c(C2)cccc1 |
Title of publication | Diastereoselective conjugate addition of organocuprates to chiral N-enoyl oxazolidinethiones. |
Authors of publication | Sabala, Rocío; Hernández-García, Luis; Ortiz, Aurelio; Romero, Moisés; Olivo, Horacio F. |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 19 |
Pages of publication | 4268 - 4270 |
a | 4.5421 ± 0.0009 Å |
b | 10.033 ± 0.002 Å |
c | 37.818 ± 0.008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1723.4 ± 0.6 Å3 |
Cell temperature | 155 ± 2 K |
Ambient diffraction temperature | 155 ± 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 | 0.1316 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.0871 |
Weighted residual factors for all reflections included in the refinement | 0.1083 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
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/1503184.html
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Users of the data should acknowledge the original authors of the
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