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Information card for entry 4023124
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Coordinates | 4023124.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Chemical name | (2E,1S,4S)-N,N'-bis-(tert-butylsulfonyl)-1,4-dicyclohexyl-but-2-ene-1,4-diamine |
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Formula | C24 H46 N2 O4 S2 |
Calculated formula | C24 H46 N2 O4 S2 |
SMILES | C(=C\[C@H](C1CCCCC1)NS(=O)(=O)C(C)(C)C)/[C@H](C1CCCCC1)NS(=O)(=O)C(C)(C)C |
Title of publication | Dimerization and Isomerization Reactions of α-Lithiated Terminal Aziridines |
Authors of publication | David M. Hodgson; Philip G. Humphreys; Steven M. Miles; Christopher A. J. Brierley; John G. Ward |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 10009 - 10021 |
a | 12.0205 ± 0.0002 Å |
b | 9.4 ± 0.0002 Å |
c | 12.7518 ± 0.0003 Å |
α | 90° |
β | 112.657 ± 0.001° |
γ | 90° |
Cell volume | 1329.67 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Sample thermal history | The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis. |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0479 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for all reflections | 0.0475 |
Weighted residual factors for significantly intense reflections | 0.0344 |
Weighted residual factors for all reflections included in the refinement | 0.0344 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.1186 |
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/4023124.html
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