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Information card for entry 4033416
Preview
Coordinates | 4033416.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H26 N2 O4 |
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Calculated formula | C25 H26 N2 O4 |
SMILES | O(C(=O)[C@](NCc1ccccc1)(Cc1ccccc1)[C@H](c1ccccc1)CN(=O)=O)C.O(C(=O)[C@@](NCc1ccccc1)(Cc1ccccc1)[C@@H](c1ccccc1)CN(=O)=O)C |
Title of publication | Memory of Chirality Concept in Asymmetric Intermolecular Michael Addition of α-Amino Ester Enolates to Enones and Nitroalkenes. |
Authors of publication | Veeraswamy, Vadlamuri; Goswami, Gaurav; Mukherjee, Satobhisha; Ghosh, Koena; Saha, Manik Lal; Sengupta, Arunava; Ghorai, Manas K. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 3 |
Pages of publication | 1106 - 1115 |
a | 7.81 ± 0.005 Å |
b | 10.638 ± 0.005 Å |
c | 13.879 ± 0.005 Å |
α | 79.989 ± 0.005° |
β | 85.653 ± 0.005° |
γ | 70.974 ± 0.005° |
Cell volume | 1073.3 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0877 |
Residual factor for significantly intense reflections | 0.0521 |
Weighted residual factors for significantly intense reflections | 0.1244 |
Weighted residual factors for all reflections included in the refinement | 0.1499 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
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/4033416.html
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Users of the data should acknowledge the original authors of the
structural data.