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Information card for entry 4024257
Preview
Coordinates | 4024257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H23 N O5 |
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Calculated formula | C23 H23 N O5 |
SMILES | O[C@]12N(C(=O)c3c1cccc3)[C@@H](C(C)C)C(=O)C[C@H]2C(=O)OCc1ccccc1.O[C@@]12N(C(=O)c3c1cccc3)[C@H](C(C)C)C(=O)C[C@@H]2C(=O)OCc1ccccc1 |
Title of publication | Stereoselective Formation of a Functionalized Dipeptide Isostere by Zinc Carbenoid-Mediated Chain Extension |
Authors of publication | Weimin Lin; Cory R. Theberge; Timothy J. Henderson; Charles K. Zercher; Jerry Jasinski; Ray. J. Butcher |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 645 - 651 |
a | 9.4862 ± 0.0016 Å |
b | 8.3879 ± 0.0014 Å |
c | 24.325 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1935.6 ± 0.6 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 4 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0382 |
Residual factor for significantly intense reflections | 0.0346 |
Weighted residual factors for significantly intense reflections | 0.0883 |
Weighted residual factors for all reflections included in the refinement | 0.0906 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
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/4024257.html
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Users of the data should acknowledge the original authors of the
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