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Information card for entry 7052090
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| Coordinates | 7052090.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C29 H26 O3 |
|---|---|
| Calculated formula | C29 H26 O3 |
| SMILES | O([C@@H]([C@](O)([C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C |
| Title of publication | ?GaI?: A new reagent for chemo- and diastereoselective C?C bond forming reactions |
| Authors of publication | Green, Shaun P.; Jones, Cameron; Stasch, Andreas; Rose, Richard P. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2007 |
| Journal volume | 31 |
| Journal issue | 1 |
| Pages of publication | 127 |
| a | 32.142 ± 0.006 Å |
| b | 6.2276 ± 0.0012 Å |
| c | 11.413 ± 0.002 Å |
| α | 90° |
| β | 101.7 ± 0.03° |
| γ | 90° |
| Cell volume | 2237 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.1474 |
| Residual factor for significantly intense reflections | 0.0876 |
| Weighted residual factors for significantly intense reflections | 0.1387 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7052090.cif |
| 180074 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/20. |
7052090.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052090.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052090.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7052090.cif |
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Users of the data should acknowledge the original authors of the
structural data.