Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4106262
Preview
| Coordinates | 4106262.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H46 O2 Si |
|---|---|
| Calculated formula | C35 H46 O2 Si |
| SMILES | [Si](O[C@@H]1C[C@]2(CC[C@H]([C@H]3C(=O)[C@@H]([C@H]4CC[C@@]1(C4=C23)C)C)C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1.[Si](O[C@H]1C[C@@]2(CC[C@@H]([C@@H]3C(=O)[C@H]([C@@H]4CC[C@]1(C4=C23)C)C)C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | A Concise, Stereocontrolled Total Synthesis of Rippertenol |
| Authors of publication | Scott A. Snyder; Daniel A. Wespe; J. Marian von Hof |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 8850 - 8853 |
| a | 8.2949 ± 0.0014 Å |
| b | 10.2967 ± 0.0018 Å |
| c | 18.515 ± 0.003 Å |
| α | 78.3 ± 0.003° |
| β | 83.853 ± 0.003° |
| γ | 85.079 ± 0.003° |
| Cell volume | 1536.3 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2081 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.0603 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.682 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4106262.cif |
| 178808 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/62. |
4106262.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4106262.cif |
| 53060 | 2012-04-17 | cif/ Adding structures of 4106262 via cif-deposit CGI script. |
4106262.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.