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Information card for entry 4110640
Preview
| Coordinates | 4110640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H34 N2 O4 S2 |
|---|---|
| Calculated formula | C23 H34 N2 O4 S2 |
| SMILES | S1(=O)(c2c([C@@H]3[C@@H](C(C)C)[C@@H](C(=O)C=13)N(S(=O)(=O)C(C)(C)C)CC=C)cccc2)N(C)C |
| Title of publication | Functionalized Chiral Vinyl Aminosulfoxonium Salts: Asymmetric Synthesis and Application to the Synthesis of Enantiopure Unsaturated Prolines, β,γ-Dehydro Amino Acids, and Cyclopentanoid Keto Aminosulfoxonium Ylides |
| Authors of publication | Shashi Kant Tiwari; Hans-Joachim Gais; Andreas Lindenmaier; Gadamsetti Surendra Babu; Gerhard Raabe; Leleti Rajender Reddy; Franz Köhler; Markus Günter; Stefan Koep; Vijaya Bhaskara Reddy Iska |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 7360 - 7373 |
| a | 10.1605 ± 0.0006 Å |
| b | 15.1025 ± 0.0007 Å |
| c | 15.6023 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2394.2 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.035 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.044 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections | 2.52 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.529 |
| Diffraction radiation wavelength | 1.54179 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4110640.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110640.cif |
| 59440 | 2012-06-06 | cif/ Adding structures of 4110640 via cif-deposit CGI script. |
4110640.cif |
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Users of the data should acknowledge the original authors of the
structural data.