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Information card for entry 1502143
Preview
| Coordinates | 1502143.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H27 N O3 |
|---|---|
| Calculated formula | C25 H27 N O3 |
| SMILES | O(C(=O)C[C@H](N([C@@H](c1ccccc1)C)c1ccccc1)C)c1ccc(OC)cc1 |
| Title of publication | Conjugate addition of lithium N-phenyl-N-(α-methylbenzyl)amide: application to the asymmetric synthesis of (R)-(-)-angustureine. |
| Authors of publication | Bentley, Scott A.; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E. |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 10 |
| Pages of publication | 2544 - 2547 |
| a | 9.6818 ± 0.0004 Å |
| b | 14.3637 ± 0.0005 Å |
| c | 15.1077 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2100.97 ± 0.14 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for all reflections | 0.0904 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0904 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0132 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1502143.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502143.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502143.cif |
| 35461 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502143 via cif-deposit CGI script. |
1502143.cif |
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Users of the data should acknowledge the original authors of the
structural data.