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Information card for entry 1506028
Preview
| Coordinates | 1506028.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C26 H28 N2 O2 |
|---|---|
| Calculated formula | C26 H28 N2 O2 |
| SMILES | O=C1C=CN([C@@H](C1)C#Cc1ccccc1)/C(=N/[C@H](COC)C(C)C)c1ccccc1 |
| Title of publication | Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines. |
| Authors of publication | Focken, Thilo; Charette, André B |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 14 |
| Pages of publication | 2985 - 2988 |
| a | 9.9053 ± 0.0002 Å |
| b | 13.1534 ± 0.0003 Å |
| c | 17.1989 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2240.82 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0284 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for significantly intense reflections | 0.0727 |
| Weighted residual factors for all reflections included in the refinement | 0.073 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
1506028.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506028.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. |
1506028.cif |
| 131991 | 2015-02-18 | cif/1/ (antanas@koala.ibt.lt) Removing extra trailing '�%' repetitions from 38 CIFs in 1/50/. |
1506028.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506028.cif |
| 47937 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506028 via cif-deposit CGI script. |
1506028.cif |
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Users of the data should acknowledge the original authors of the
structural data.