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Information card for entry 4108979
Preview
| Coordinates | 4108979.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C18 H14 F N O4 |
|---|---|
| Calculated formula | C18 H14 F N O4 |
| SMILES | Fc1ccc(C2CC(=O)N(C(=O)C2)c2cc3OCOc3cc2)cc1 |
| Title of publication | Chemoselective Hydrogenation of Imides Catalyzed by Cp*Ru(PN) Complexes and Its Application to the Asymmetric Synthesis of Paroxetine |
| Authors of publication | Masato Ito; Ayaka Sakaguchi; Chika Kobayashi; Takao Ikariya |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 290 - 291 |
| a | 7.88 ± 0.02 Å |
| b | 7.034 ± 0.012 Å |
| c | 13.89 ± 0.03 Å |
| α | 90° |
| β | 97.6 ± 0.03° |
| γ | 90° |
| Cell volume | 763 ± 3 Å3 |
| Cell temperature | 193.1 K |
| 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 significantly intense reflections | 0.051 |
| Weighted residual factors for all reflections included in the refinement | 0.154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4108979.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4108979.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4108979.cif |
| 57692 | 2012-05-18 | cif/ Adding structures of 4108979 via cif-deposit CGI script. |
4108979.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.