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Information card for entry 4026567
Preview
Coordinates | 4026567.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H40 Cl0 Cu0 N4 O13 S2 |
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Calculated formula | C45 H34 N4 O12 S2 |
SMILES | S(=O)(=O)(N[C@H]1[C@H](c2ccc(cc2)C)c2c(OC1)cccc2)c1ccc(N(=O)=O)cc1.S(=O)(=O)(N[C@@H]1[C@H](c2c(OC1)cccc2)c1ccc(cc1)C)c1ccc(cc1)N(=O)=O.O.OC |
Title of publication | Catalytic Enantioselective Aziridoarylation of Aryl Cinnamyl Ethers toward Synthesis of trans-3-Amino-4-arylchromans |
Authors of publication | Saumen Hajra; Debarshi Sinha |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 7334 - 7340 |
a | 11.534 ± 0.005 Å |
b | 14.383 ± 0.005 Å |
c | 15.388 ± 0.005 Å |
α | 103.451 ± 0.005° |
β | 104.397 ± 0.005° |
γ | 90.407 ± 0.005° |
Cell volume | 2399.1 ± 1.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1331 |
Residual factor for significantly intense reflections | 0.0897 |
Weighted residual factors for significantly intense reflections | 0.258 |
Weighted residual factors for all reflections included in the refinement | 0.3039 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
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/4026567.html
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