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Information card for entry 1504754
Preview
| Coordinates | 1504754.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 N O2 P |
|---|---|
| Calculated formula | C27 H26 N O2 P |
| SMILES | P(=O)(N([C@@H]([C@@H](O)c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles. |
| Authors of publication | Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 15 |
| Pages of publication | 3195 - 3198 |
| a | 9.9856 ± 0.0004 Å |
| b | 10.1967 ± 0.0004 Å |
| c | 11.5731 ± 0.0005 Å |
| α | 100.869 ± 0.003° |
| β | 103.617 ± 0.003° |
| γ | 90.203 ± 0.003° |
| Cell volume | 1123.29 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.1184 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287985 (current) | 2023-12-04 | cif/1/50/47/ Changed an atom site label from '05A' to 'O5A' in multiple data loops of entry 1504754 for consistency and readability. |
1504754.cif |
| 176729 | 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. |
1504754.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504754.cif |
| 42339 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504754 via cif-deposit CGI script. |
1504754.cif |
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Users of the data should acknowledge the original authors of the
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