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Information card for entry 1504862
Preview
| Coordinates | 1504862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C15 H30 O6 Si |
|---|---|
| Calculated formula | C15 H30 O6 Si |
| SMILES | C[Si](C)(C(C)(C)C)OC[C@@H]([C@]1(C[C@H]([C@@H](C(=O)OC)O1)O)C)O |
| Title of publication | Synthetic studies toward pectenotoxin 2. Part I. Stereocontrolled access to the C10-C22 fragment. |
| Authors of publication | Aho, Jatta E.; Salomäki, Elina; Rissanen, Kari; Pihko, Petri M. |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 19 |
| Pages of publication | 4179 - 4182 |
| a | 10.7957 ± 0.0003 Å |
| b | 7.0119 ± 0.0002 Å |
| c | 12.5382 ± 0.0003 Å |
| α | 90° |
| β | 92.3999 ± 0.0019° |
| γ | 90° |
| Cell volume | 948.29 ± 0.04 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 ± 0.1 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 | 0.0648 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1021 |
| Weighted residual factors for all reflections included in the refinement | 0.1096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288255 (current) | 2023-12-12 | cif/ Corrected the misspelt variants of the '_computing_data_collection' data name in entries 1504862, 1507743, 4083114, 4345899, 7014705, 7025167. Changed data name '_dif_diffrn_radiation_source' to '_dif_diffrn_radiation_source' in entry 4083114. |
1504862.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. |
1504862.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1504862.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504862.cif |
| 42421 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504862 via cif-deposit CGI script. |
1504862.cif |
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Users of the data should acknowledge the original authors of the
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