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Information card for entry 1503518
Preview
Coordinates | 1503518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H52 N2 O2 |
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Calculated formula | C41 H52 N2 O2 |
SMILES | O(C(=O)C[C@H](N(Cc1ccccc1)[C@@H](c1ccccc1)C)[C@@H](N(Cc1ccccc1)Cc1ccccc1)CC(C)C)C(C)(C)C.O(C(=O)C[C@@H](N(Cc1ccccc1)[C@H](c1ccccc1)C)[C@H](N(Cc1ccccc1)Cc1ccccc1)CC(C)C)C(C)(C)C |
Title of publication | Parallel kinetic resolution of acyclic γ-amino-α,β-unsaturated esters: application to the asymmetric synthesis of 4-aminopyrrolidin-2-ones. |
Authors of publication | Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.; Yin, Jingda |
Journal of publication | Organic letters |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 1 |
Pages of publication | 218 - 221 |
a | 17.711 ± 0.0006 Å |
b | 12.0009 ± 0.0004 Å |
c | 18.5046 ± 0.0006 Å |
α | 90° |
β | 116.31 ± 0.0014° |
γ | 90° |
Cell volume | 3525.7 ± 0.2 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1713 |
Residual factor for significantly intense reflections | 0.0632 |
Weighted residual factors for all reflections | 0.1171 |
Weighted residual factors for significantly intense reflections | 0.0627 |
Weighted residual factors for all reflections included in the refinement | 0.0627 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1484 |
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/1503518.html
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Users of the data should acknowledge the original authors of the
structural data.