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Information card for entry 1506134
Preview
| Coordinates | 1506134.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C14 H26 O4 Si |
|---|---|
| Calculated formula | C14 H26 O4 Si |
| SMILES | O([Si](C)(C(C)(C)C)C)C[C@H]1OC(=O)[C@H]2C[C@H](C[C@@H]12)O |
| Title of publication | Stereodivergent approach to the asymmetric synthesis of bacillariolides: a formal synthesis of ent-bacillariolide II. |
| Authors of publication | Ghosh, Subrata; Sinha, Saikat; Drew, Michael G. B. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 17 |
| Pages of publication | 3781 - 3784 |
| a | 7.577 ± 0.008 Å |
| b | 8.208 ± 0.011 Å |
| c | 13.461 ± 0.015 Å |
| α | 90° |
| β | 97.796 ± 0.01° |
| γ | 90° |
| Cell volume | 829.4 ± 1.7 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 | 0.0723 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
1506134.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. |
1506134.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. |
1506134.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506134.cif |
| 85727 | 2013-05-07 | cif/1 Fixing minor details (mostly wrong formula and Z value) in CIFs of subdir 1, detected when building SMILES. |
1506134.cif |
| 48025 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506134 via cif-deposit CGI script. |
1506134.cif |
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Users of the data should acknowledge the original authors of the
structural data.