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Information card for entry 1505413
Preview
| Coordinates | 1505413.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C38 H66 O12 S Si2 |
|---|---|
| Calculated formula | C38 H66 O12 S Si2 |
| SMILES | S(=O)(=O)(CC[C@H](O[Si](C(C)(C)C)(C)C)[C@@H](OC)C[C@@H]1OC(=O)O[C@H]1[C@@]1(O[C@@H]([C@@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@H]1C)C)CC(=O)OC)OC)c1ccccc1 |
| Title of publication | Lactol-directed osmylation. Stereodivergent synthesis of four C-19,20 apoptolidin diols from a single allylic hemiacetal. |
| Authors of publication | Kim, Youngsoon; Fuchs, Philip L. |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 13 |
| Pages of publication | 2445 - 2448 |
| a | 7.292 ± 0.0004 Å |
| b | 17.7683 ± 0.0017 Å |
| c | 17.7243 ± 0.0011 Å |
| α | 90° |
| β | 98.805 ± 0.004° |
| γ | 90° |
| Cell volume | 2269.4 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.091 |
| Residual factor for significantly intense reflections | 0.088 |
| Weighted residual factors for significantly intense reflections | 0.181 |
| Weighted residual factors for all reflections included in the refinement | 0.182 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.213 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MO-Kα |
| 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. |
1505413.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. |
1505413.cif |
| 189975 | 2017-01-06 | cif/1/50/ (antanas@echidna.ibt.lt) Changing the values of _atom_site_label and _atom_site_aniso_label data items to match the ones in related data items (e. g. _geom_angle_atom_site_label_*) in entries 1505412, 1505413. In case of entry 1505413 the _geom_torsion_atom_site_label_* data item values were also changed. |
1505413.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. |
1505413.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505413.cif |
| 45591 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505413 via cif-deposit CGI script. |
1505413.cif |
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Users of the data should acknowledge the original authors of the
structural data.