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Information card for entry 1506084
Preview
| Coordinates | 1506084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C25 H34 N2 O5 S |
|---|---|
| Calculated formula | C25 H34 N2 O5 S |
| SMILES | S1(=O)(=O)N(C(=O)[C@@H]2N[C@@H]([C@@H](C2)C(=O)OC)CCc2ccccc2)[C@@H]2[C@@]3(C1)CC[C@@H](C2)C3(C)C |
| Title of publication | Asymmetric multicomponent [C+NC+CC] synthesis of highly functionalized pyrrolidines catalyzed by silver(I). |
| Authors of publication | Garner, Philip; Kaniskan, H. Umit; Hu, Jieyu; Youngs, Wiley J.; Panzner, Matthew |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3647 - 3650 |
| a | 25.555 ± 0.003 Å |
| b | 7.2399 ± 0.0009 Å |
| c | 15.3012 ± 0.0018 Å |
| α | 90° |
| β | 122.954 ± 0.002° |
| γ | 90° |
| Cell volume | 2375.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| 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. |
1506084.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. |
1506084.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. |
1506084.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506084.cif |
| 47984 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506084 via cif-deposit CGI script. |
1506084.cif |
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Users of the data should acknowledge the original authors of the
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