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Information card for entry 4021517
Preview
Coordinates | 4021517.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Cis-aziridino-epoxy-cyclohexane |
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Chemical name | (1aS,2aS,3aR,4aS)-1a-isopropyl-3a-methyl-3-[(4-methylphenyl) sulfonyl]perhydrooxireno[2',3':4,5]benzo[b]azirene |
Formula | C17 H23 N O3 S |
Calculated formula | C17 H23 N O3 S |
SMILES | S(=O)(=O)(N1[C@@H]2C[C@@]3(O[C@@H]3C[C@]12C)C(C)C)c1ccc(cc1)C.S(=O)(=O)(N1[C@H]2C[C@]3(O[C@H]3C[C@@]12C)C(C)C)c1ccc(cc1)C |
Title of publication | Regio- and Stereoselective Synthesis of Aziridino Epoxides from Cyclic Dienes |
Authors of publication | Devarajulu Sureshkumar; Susama Maity; Srinivasan Chandrasekaran |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 1653 - 1657 |
a | 6.4314 ± 0.0017 Å |
b | 10.997 ± 0.003 Å |
c | 24.165 ± 0.006 Å |
α | 90° |
β | 91.696 ± 0.004° |
γ | 90° |
Cell volume | 1708.4 ± 0.8 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1046 |
Residual factor for significantly intense reflections | 0.0856 |
Weighted residual factors for significantly intense reflections | 0.164 |
Weighted residual factors for all reflections included in the refinement | 0.1701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.431 |
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/4021517.html
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Users of the data should acknowledge the original authors of the
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