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Information card for entry 1555359
Preview
| Coordinates | 1555359.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H23 F2 N O3 |
|---|---|
| Calculated formula | C19 H23 F2 N O3 |
| SMILES | C=C(C)C[C@@](C(=O)[O-])(C(F)F)O.C[C@@H](c1cccc2ccccc12)[NH3+] |
| Title of publication | Catalytic Asymmetric Synthesis of Tertiary Alcohols and Oxetenes Bearing a Difluoromethyl Group. |
| Authors of publication | Aikawa, Kohsuke; Yoshida, Seiya; Kondo, Daisuke; Asai, Yuya; Mikami, Koichi |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 20 |
| Pages of publication | 5108 - 5111 |
| a | 12.3361 ± 0.0004 Å |
| b | 6.0532 ± 0.0002 Å |
| c | 13.2095 ± 0.0004 Å |
| α | 90° |
| β | 115.922 ± 0.002° |
| γ | 90° |
| Cell volume | 887.15 ± 0.05 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 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 all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0839 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238547 (current) | 2019-11-24 | cif/ Adding structures of 1555359 via cif-deposit CGI script. |
1555359.cif |
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