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Information card for entry 1506126
Preview
| Coordinates | 1506126.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H21 N O3 |
|---|---|
| Calculated formula | C19 H21 N O3 |
| SMILES | N1(C(=O)[C@H]([C@@](C1)(C)O)Cc1ccccc1)c1ccc(cc1)OC.N1(C(=O)[C@@H]([C@](C1)(C)O)Cc1ccccc1)c1ccc(cc1)OC |
| Title of publication | Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant. |
| Authors of publication | Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3729 - 3732 |
| a | 15.7502 ± 0.0007 Å |
| b | 6.1392 ± 0.0003 Å |
| c | 17.0116 ± 0.0007 Å |
| α | 90° |
| β | 99.577 ± 0.003° |
| γ | 90° |
| Cell volume | 1621.99 ± 0.13 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0684 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for all reflections | 0.1086 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8598 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1506126.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1506126.cif |
| 176435 | 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. |
1506126.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506126.cif |
| 48017 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506126 via cif-deposit CGI script. |
1506126.cif |
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