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Information card for entry 7155379
Preview
| Coordinates | 7155379.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (S)-6-((3R,4R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-2,4,6-trimethylheptan-2-yl)-5,6-dihydro-2H-pyran-2-one |
|---|---|
| Formula | C27 H54 O4 Si2 |
| Calculated formula | C27 H54 O4 Si2 |
| Title of publication | Synthesis and biological evaluation of simplified pironetin analogues with modifications in the side chain and the lactone ring. |
| Authors of publication | Roldán, Steven; Cardona, Adrià; Conesa, Laura; Murga, Juan; Falomir, Eva; Carda, Miguel; Marco, J. Alberto |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2016 |
| Journal volume | 15 |
| Journal issue | 1 |
| Pages of publication | 220 - 232 |
| a | 13.6989 ± 0.0005 Å |
| b | 7.5129 ± 0.0002 Å |
| c | 15.8965 ± 0.0005 Å |
| α | 90° |
| β | 103.187 ± 0.003° |
| γ | 90° |
| Cell volume | 1592.9 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1684 |
| Weighted residual factors for all reflections included in the refinement | 0.1761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191755 (current) | 2017-02-04 | cif/ Updating files of 7155377, 7155378, 7155379, 7155380, 7155381, 7155382, 7155383, 7155384, 7155385 Original log message: Adding full bibliography for 7155377--7155385.cif. |
7155379.cif |
| 188644 | 2016-11-23 | cif/ Adding structures of 7155377, 7155378, 7155379, 7155380, 7155381, 7155382, 7155383, 7155384, 7155385 via cif-deposit CGI script. |
7155379.cif |
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Users of the data should acknowledge the original authors of the
structural data.