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Information card for entry 1507522
Preview
| Coordinates | 1507522.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C16 H26 O5 S |
|---|---|
| Calculated formula | C16 H26 O5 S |
| SMILES | S1(OC[C@H]2O[C@H]3[C@H]4C(=O)O[C@@H]([C@@H]2O1)[C@@H]34)(C(C)(C)C)C(C)(C)C |
| Title of publication | Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide |
| Authors of publication | Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L. |
| Journal of publication | Organic Letters |
| Year of publication | 2001 |
| Journal volume | 3 |
| Journal issue | 16 |
| Pages of publication | 2563 |
| a | 6.4313 ± 0.0001 Å |
| b | 11.6244 ± 0.0001 Å |
| c | 22.4048 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1674.98 ± 0.04 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0566 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| 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. |
1507522.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. |
1507522.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. |
1507522.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507522.cif |
| 54227 | 2012-04-24 | cif/ Adding structures of 1507522 via cif-deposit CGI script. |
1507522.cif |
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Users of the data should acknowledge the original authors of the
structural data.