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Information card for entry 1546313
Preview
| Coordinates | 1546313.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Fiaud's acid |
|---|---|
| Chemical name | (2R,5R)-1-hydroxy-2,5-diphenylphospholane 1-oxide |
| Formula | C16 H17 O2 P |
| Calculated formula | C16 H17 O2 P |
| SMILES | P1(=O)(O)[C@H](c2ccccc2)CC[C@H]1c1ccccc1 |
| Title of publication | Fiaud's Acid: A Brønsted Acid Catalyst for Enantioselective Friedel-Crafts Alkylation of Indoles with 2-Alkene-1,4-diones. |
| Authors of publication | Chatterjee, Sourav; Hintermann, Lukas; Mandal, Madhumita; Achari, Anushree; Gupta, Sreya; Jaisankar, Parasuraman |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 13 |
| Pages of publication | 3426 - 3429 |
| a | 22.549 ± 0.002 Å |
| b | 5.7466 ± 0.0005 Å |
| c | 11.4612 ± 0.0012 Å |
| α | 90° |
| β | 105.767 ± 0.006° |
| γ | 90° |
| Cell volume | 1429.3 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200735 (current) | 2017-09-12 | cif/ Updating files of 1546313 Original log message: Adding full bibliography for 1546313.cif. |
1546313.cif |
| 197822 | 2017-06-15 | cif/ Adding structures of 1546313 via cif-deposit CGI script. |
1546313.cif |
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Users of the data should acknowledge the original authors of the
structural data.