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Information card for entry 4024169
Preview
Coordinates | 4024169.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H34 N2 O4 S |
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Calculated formula | C30 H34 N2 O4 S |
SMILES | S(=O)(=O)(N1[C@H]([C@H](N=C(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)C1(C)C)c1ccc(cc1)C.S(=O)(=O)(N1[C@@H]([C@@H](N=C(c2ccccc2)c2ccccc2)C(=O)OC(C)(C)C)C1(C)C)c1ccc(cc1)C |
Title of publication | An Easy Stereoselective Access to β,γ-Aziridino α-Amino Ester Derivatives via Mannich Reaction of Benzophenone Imines of Glycine Esters with N-Sulfonyl α-Chloroaldimines |
Authors of publication | Loránd Kiss; Sven Mangelinckx; Reijo Sillanpää; Ferenc Fülöp; Norbert De Kimpe |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 7199 - 7206 |
a | 9.7446 ± 0.0004 Å |
b | 10.6546 ± 0.0003 Å |
c | 14.6097 ± 0.0005 Å |
α | 75.349 ± 0.002° |
β | 74.192 ± 0.002° |
γ | 80.609 ± 0.002° |
Cell volume | 1404.77 ± 0.08 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1031 |
Residual factor for significantly intense reflections | 0.061 |
Weighted residual factors for significantly intense reflections | 0.1031 |
Weighted residual factors for all reflections included in the refinement | 0.1192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
Diffraction radiation probe | x-ray |
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/4024169.html
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Users of the data should acknowledge the original authors of the
structural data.