Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1516526
Preview
| Coordinates | 1516526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (4R,5S)-1-((S)-4-hydroxy-3-methyl-4,4-diphenylbutanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one |
|---|---|
| Formula | C28 H30 N2 O3 |
| Calculated formula | C28 H30 N2 O3 |
| SMILES | N1(C(=O)N([C@@H]([C@@H]1c1ccccc1)C)C)C(=O)C[C@H](C)C(O)(c1ccccc1)c1ccccc1 |
| Title of publication | Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. |
| Authors of publication | Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 12 |
| Pages of publication | 3348 - 3351 |
| a | 6.63 ± 0.018 Å |
| b | 8.27 ± 0.02 Å |
| c | 22.07 ± 0.1 Å |
| α | 89.6 ± 0.3° |
| β | 87.7 ± 0.3° |
| γ | 80 ± 0.2° |
| Cell volume | 1191 ± 7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0682 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1019 |
| Weighted residual factors for all reflections included in the refinement | 0.1095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1516526.cif |
| 119294 | 2014-07-05 | cif/ Updating files of 1516523, 1516524, 1516525, 1516526 Original log message: Adding full bibliography for 1516523--1516526.cif. |
1516526.cif |
| 116009 | 2014-06-06 | cif/ Adding structures of 1516526 via cif-deposit CGI script. |
1516526.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.