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Information card for entry 1505663
Preview
| Coordinates | 1505663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Common name | ozonide |
|---|---|
| Chemical name | [(1R,4S,5R,6R)-5-(tert-Butyl-dimethyl-silanyloxy)-6- methoxy-4-methyl-2,3,7-trioxa-bicyclo[2.2.1]hept-1-yl]- acetonitrile |
| Formula | C14 H25 N O5 Si |
| Calculated formula | C14 H25 N O5 Si |
| SMILES | [Si](O[C@H]1[C@@]2(OO[C@](O2)(CC#N)[C@@H]1OC)C)(C)(C)C(C)(C)C |
| Title of publication | A novel, efficient, diastereo- and enantioselective Mukaiyama aldol-based synthesis of a vinyl cyclopentanone core derivative of viridenomycin. |
| Authors of publication | Batsanov, Andrei S.; Knowles, Jonathan P.; Lightfoot, Andrew P.; Maw, Graham; Thirsk, Carl E.; Twiddle, Steven J. R.; Whiting, Andrew |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 26 |
| Pages of publication | 5565 - 5568 |
| a | 10.726 ± 0.001 Å |
| b | 8.1169 ± 0.0005 Å |
| c | 11.027 ± 0.001 Å |
| α | 90° |
| β | 115.27 ± 0.01° |
| γ | 90° |
| Cell volume | 868.16 ± 0.14 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| 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. |
1505663.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. |
1505663.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. |
1505663.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505663.cif |
| 45810 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 1505662, 1505663 via cif-deposit CGI script. |
1505663.cif |
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