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Information card for entry 1547363
Preview
Coordinates | 1547363.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H24 N2 O5 |
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Calculated formula | C24 H24 N2 O5 |
SMILES | O=C1N[C@@H](CC=CC[C@@H]1NC(=O)OCC1c2ccccc2c2ccccc12)C(=O)OC |
Title of publication | Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams. |
Authors of publication | Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 19 |
Pages of publication | 5066 - 5069 |
a | 4.8466 ± 0.0001 Å |
b | 11.7928 ± 0.0003 Å |
c | 18.3146 ± 0.0005 Å |
α | 90° |
β | 96.5347 ± 0.0015° |
γ | 90° |
Cell volume | 1039.97 ± 0.04 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0615 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0861 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/1547363.html
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Users of the data should acknowledge the original authors of the
structural data.