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Information card for entry 7226804
Preview
| Coordinates | 7226804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H34 N2 O4 |
|---|---|
| Calculated formula | C30 H34 N2 O4 |
| SMILES | c1(ccccc1)CO[C@@H](C(=O)N1[C@@H](C(C)C)CN(C1=O)[C@H](C)c1ccccc1)[C@@H](c1ccccc1)O |
| Title of publication | Anti selective glycolate aldol reactions of (S)-4-isopropyl-1-[(R)-1-phenylethyl]imidazolidin-2-one: application towards the asymmetric synthesis of 8-4'-oxyneolignans |
| Authors of publication | Gangar, Mukesh; Ittuveetil, Avinash; Goyal, Sandeep; Pal, Anang; M., Harikrishnan; Nair, Vipin A. |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 10.4181 ± 0.0016 Å |
| b | 13.682 ± 0.002 Å |
| c | 18.006 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2566.6 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.063 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1391 |
| Weighted residual factors for all reflections included in the refinement | 0.1477 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187358 (current) | 2016-10-15 | cif/ Adding structures of 7226804 via cif-deposit CGI script. |
7226804.cif |
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Users of the data should acknowledge the original authors of the
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