Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4024710
Preview
| Coordinates | 4024710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H32 O4.5 Si |
|---|---|
| Calculated formula | C25 H32 O4.5 Si |
| SMILES | [Si](OCC[C@H]1OC(=O)C=C(O)C1(C)C)(C(C)(C)C)(c1ccccc1)c1ccccc1.O |
| Title of publication | Progress toward the Total Synthesis of Psymberin/Irciniastatin A |
| Authors of publication | Lauren E. Brown; Yakira R. Landaverry; James R. Davies; Kristin A. Milinkevich; Sandra Ast; Joseph S. Carlson; Allen G. Oliver; Joseph P. Konopelski |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 5405 - 5410 |
| a | 8.06 ± 0.002 Å |
| b | 8.128 ± 0.002 Å |
| c | 20.018 ± 0.006 Å |
| α | 89.896 ± 0.004° |
| β | 81.309 ± 0.004° |
| γ | 73.202 ± 0.004° |
| Cell volume | 1239.8 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1109 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4024710.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024710.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024710.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024710.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024710.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.