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Information card for entry 7116562
Preview
| Coordinates | 7116562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H26 O5 Si |
|---|---|
| Calculated formula | C15 H26 O5 Si |
| SMILES | C1(=O)C2=C(CO1)[C@H]([C@@]([C@@H](C2)O[Si](C)(C)C(C)(C)C)(C)O)O.C1(=O)C2=C(CO1)[C@@H]([C@]([C@H](C2)O[Si](C)(C)C(C)(C)C)(C)O)O |
| Title of publication | Total synthesis of the proposed structure of a polyketide from Phialomyces macrosporus |
| Authors of publication | Abe, Hideki; Itaya, Satoko; Sasaki, Kei; Kobayashi, Toyoharu; Ito, Hisanaka |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2015 |
| Journal volume | 51 |
| Journal issue | 17 |
| Pages of publication | 3586 - 3589 |
| a | 15.0354 ± 0.0013 Å |
| b | 6.2653 ± 0.0005 Å |
| c | 36.895 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3475.6 ± 0.5 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0855 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7116562.cif |
| 210895 | 2018-09-12 | cif/7/11/ (antanas@echidna) Updating bibliography in entries 7116562-7116564, 7116699-7116701. Marking entries 7116699-7116701 as a duplicates of entries 7116562-7116564. |
7116562.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7116562.cif |
| 131838 | 2015-02-13 | cif/ Adding structures of 7116562, 7116563, 7116564 via cif-deposit CGI script. |
7116562.cif |
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