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Information card for entry 1506736
Preview
| Coordinates | 1506736.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | MPPIM-A |
|---|---|
| Chemical name | MPPIM-A |
| Formula | C10 H12 O4 |
| Calculated formula | C10 H12 O4 |
| SMILES | O=C1O[C@]2(C1)CC[C@@H]1[C@H](C2)CC(=O)O1 |
| Title of publication | Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates. |
| Authors of publication | Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 22 |
| Pages of publication | 5035 - 5038 |
| a | 5.3861 ± 0.0003 Å |
| b | 10.9679 ± 0.0007 Å |
| c | 8.4107 ± 0.0005 Å |
| α | 90° |
| β | 107.867 ± 0.001° |
| γ | 90° |
| Cell volume | 472.89 ± 0.05 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.041 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0738 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| 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. |
1506736.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. |
1506736.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. |
1506736.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506736.cif |
| 50546 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506736 via cif-deposit CGI script. |
1506736.cif |
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Users of the data should acknowledge the original authors of the
structural data.