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Information card for entry 7112774
Preview
| Coordinates | 7112774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H25 N O2 |
|---|---|
| Calculated formula | C16 H25 N O2 |
| SMILES | C(=N(C(C)(C)C)=O)[C@H]([C@@](c1ccccc1)(OC)C)C.C(=N(C(C)(C)C)=O)[C@@H]([C@](c1ccccc1)(OC)C)C |
| Title of publication | N-Trimethylsilyloxyenamines as new aldehyde enolate synthons: general, efficient and diastereoselective aldol reaction with ketals and acetals |
| Authors of publication | Sonawane, Manoj R.; Císařová, Ivana; Lyapkalo, Ilya M. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 15 |
| Pages of publication | 2656 - 2658 |
| a | 5.9484 ± 0.0002 Å |
| b | 8.4271 ± 0.0003 Å |
| c | 15.9289 ± 0.0005 Å |
| α | 93.4557 ± 0.0015° |
| β | 95.3665 ± 0.0018° |
| γ | 106.377 ± 0.0017° |
| Cell volume | 759.58 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7105403 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209734 (current) | 2018-08-16 | cif/7/ Updating bibliography in entries 7105401-7105403, 7112772-7112774. Marking entries 7112772-7112774 as duplicates of entries 7105401-7105403. |
7112774.cif |
| 180241 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/27. |
7112774.cif |
| 112083 | 2014-04-29 | cif/ Adding structures of 7112772, 7112773, 7112774 via cif-deposit CGI script. |
7112774.cif |
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Users of the data should acknowledge the original authors of the
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